Mrv1652303102016482D 76 79 0 0 0 0 999 V2000 10000.386010000.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9999.671610000.3269 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9998.958910000.7395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9999.6716 9999.3200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9998.9568 9998.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9998.2423 9999.3200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9998.242310000.1454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9997.527710000.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9996.813110000.1454 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9996.8131 9999.3200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9996.0985 9998.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9995.3838 9999.3200 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9995.383810000.1454 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9994.669210000.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9993.954510000.1454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9993.240010000.5559 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9992.525410000.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9991.810710000.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9993.240010001.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9993.9545 9999.3200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9994.669210001.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9994.6692 9998.9064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9996.0985 9998.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9996.098510000.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9996.098510001.3811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9995.385910001.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9995.385910002.6209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9994.671310003.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9994.671310003.8567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9993.956710002.6209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9997.527710001.3811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9998.9568 9998.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10000.386010001.5647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10001.784710001.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10002.498510002.0702 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10003.214310001.6576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10003.214310000.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10006.0716 9999.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10003.928010002.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10004.644010001.6576 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10005.357810002.0702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10006.071610001.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.357810002.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10006.071610003.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10004.644010003.3080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10003.928010002.8954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10001.070910002.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9998.956210001.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9998.288810002.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9998.543710002.8352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9999.368710002.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9999.623610002.0506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10001.767810000.8212 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10001.100410000.3362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10001.3553 9999.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10002.1803 9999.5516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10002.435210000.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.358510000.4198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10004.644110000.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10003.929510000.4197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10003.9295 9999.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10004.6438 9999.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10005.3585 9999.5948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10008.217910002.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10007.503410003.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10006.788610002.8952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10006.788610002.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10007.503310001.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10008.217910002.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9997.5360 9998.8961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9996.8218 9996.8346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9996.1078 9996.4214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9996.1078 9995.5969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9995.3651 9996.8530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9997.5360 9998.0715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9996.8218 9997.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 5 32 2 0 0 0 0 6 7 1 6 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 31 2 0 0 0 0 9 10 1 1 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 23 2 0 0 0 0 12 13 1 6 0 0 0 12 22 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 21 2 0 0 0 0 15 16 1 0 0 0 0 15 20 1 1 0 0 0 16 17 1 0 0 0 0 16 19 1 6 0 0 0 17 18 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 34 35 1 0 0 0 0 34 47 2 0 0 0 0 35 36 1 0 0 0 0 36 37 1 6 0 0 0 36 39 1 0 0 0 0 39 40 1 0 0 0 0 39 46 2 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 41 43 1 6 0 0 0 43 44 1 0 0 0 0 43 45 2 0 0 0 0 48 49 2 0 0 0 0 53 57 1 0 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 58 59 2 0 0 0 0 59 60 1 0 0 0 0 60 61 2 0 0 0 0 61 62 1 0 0 0 0 62 63 2 0 0 0 0 63 58 1 0 0 0 0 53 54 1 0 0 0 0 54 55 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 48 52 1 0 0 0 0 51 52 2 0 0 0 0 64 65 2 0 0 0 0 65 66 1 0 0 0 0 66 67 2 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 69 64 1 0 0 0 0 42 67 1 0 0 0 0 63 38 1 0 0 0 0 37 60 1 0 0 0 0 53 34 1 6 0 0 0 1 54 1 0 0 0 0 3 48 1 0 0 0 0 71 72 1 0 0 0 0 72 73 2 0 0 0 0 72 74 1 0 0 0 0 70 75 1 0 0 0 0 75 76 1 0 0 0 0 76 71 1 0 0 0 0 6 70 1 0 0 0 0 M END > BMDB0095984 > bmdb > CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC1=CNC=N1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O > InChI=1S/C50H74N16O10/c1-4-28(2)40(51)46(73)60-29(3)41(68)61-34(13-8-20-57-49(52)53)42(69)62-35(14-9-21-58-50(54)55)43(70)64-37(25-32-26-56-27-59-32)47(74)66-22-10-15-39(66)45(72)63-36(23-31-16-18-33(67)19-17-31)44(71)65-38(48(75)76)24-30-11-6-5-7-12-30/h5-7,11-12,16-19,26-29,34-40,67H,4,8-10,13-15,20-25,51H2,1-3H3,(H,56,59)(H,60,73)(H,61,68)(H,62,69)(H,63,72)(H,64,70)(H,65,71)(H,75,76)(H4,52,53,57)(H4,54,55,58)/t28-,29-,34-,35-,36-,37-,38-,39-,40-/m0/s1 > KLNGALQMFAURPH-NOQNJSOHSA-N > C50H74N16O10 > 1059.244 > 1058.577382647 > 18 > 150 > 110.20698750350144 > 0 > 16 > 0 > 0 > (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid > -1.49 > -5.757339623494685 > -4.63 > 1 > 4 > 2 > 9.522296939167612 > 3.322811831459408 > 12.210282249240356 > 430.93999999999994 > 297.93129999999996 > 30 > 0 > 2.47e-02 g/l > (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentanamido]propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-3-(1H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-(4-hydroxyphenyl)propanamido]-3-phenylpropanoic acid > 0 > BMDB0095984 > Kinetensin 1-8 $$$$