1.0 2020-03-03 19:29:43 UTC 2020-04-22 15:55:54 UTC BMDB0063911 BMDB63911 Hydroxyprolyl-Tryptophan Hydroxyproline tryptophan dipeptide HP-W Dipeptide Hpro-TRP HPW Dipeptide Hydroxyproline-tryptophan dipeptide Hydroxyprolyltryptophan L-Hydroxyprolyl-L-tryptophan 2-{[hydroxy(4-hydroxypyrrolidin-2-yl)methylidene]amino}-3-(1H-indol-3-yl)propanoate C16H19N3O4 317.3398 317.137556111 2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-(1H-indol-3-yl)propanoic acid 2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-(1H-indol-3-yl)propanoic acid OC1CNC(C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O InChI=1S/C16H19N3O4/c20-10-6-13(18-8-10)15(21)19-14(16(22)23)5-9-7-17-12-4-2-1-3-11(9)12/h1-4,7,10,13-14,17-18,20H,5-6,8H2,(H,19,21)(H,22,23) PMCORMXOLUUGHL-UHFFFAOYSA-N belongs to the class of organic compounds known as peptides. Peptides are compounds containing an amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Peptides 1,2-aminoalcohols 3-alkylindoles Amino acids Azacyclic compounds Benzenoids Carbonyl compounds Carboximidic acids Carboxylic acids Dialkylamines Heteroaromatic compounds Hydrocarbon derivatives Indolyl carboxylic acids and derivatives Monocarboxylic acids and derivatives N-acyl-alpha amino acids Organic oxides Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds Pyrrolidines Secondary alcohols Substituted pyrroles 1,2-aminoalcohol 3-alkylindole Alcohol Alpha peptide Alpha-amino acid or derivatives Amine Amino acid Amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives Indolyl carboxylic acid derivative Monocarboxylic acid or derivatives N-acyl-alpha amino acid or derivatives N-acyl-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Pyrrole Pyrrolidine Secondary alcohol Secondary aliphatic amine Secondary amine Substituted pyrrole Aromatic heteropolycyclic compounds logp -0.95 ALOGPS logs -2.47 ALOGPS logp -2.5 ChemAxon pka_strongest_acidic 3.73 ChemAxon pka_strongest_basic 9.12 ChemAxon iupac 2-[(4-hydroxypyrrolidin-2-yl)formamido]-3-(1H-indol-3-yl)propanoic acid ChemAxon average_mass 317.3398 ChemAxon mono_mass 317.137556111 ChemAxon smiles OC1CNC(C1)C(=O)NC(CC1=CNC2=CC=CC=C12)C(O)=O ChemAxon formula C16H19N3O4 ChemAxon inchi InChI=1S/C16H19N3O4/c20-10-6-13(18-8-10)15(21)19-14(16(22)23)5-9-7-17-12-4-2-1-3-11(9)12/h1-4,7,10,13-14,17-18,20H,5-6,8H2,(H,19,21)(H,22,23) ChemAxon inchikey PMCORMXOLUUGHL-UHFFFAOYSA-N ChemAxon polar_surface_area 114.45 ChemAxon refractivity 82.39 ChemAxon polarizability 32.42 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 5 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 3 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::CMs 21926 Specdb::CMs 40928 Specdb::CMs 174550 Specdb::NmrOneD 155570 Specdb::NmrOneD 155571 Specdb::NmrOneD 155572 Specdb::NmrOneD 155573 Specdb::NmrOneD 155574 Specdb::NmrOneD 155575 Specdb::NmrOneD 155576 Specdb::NmrOneD 155577 Specdb::NmrOneD 155578 Specdb::NmrOneD 155579 Specdb::NmrOneD 155580 Specdb::NmrOneD 155581 Specdb::NmrOneD 155582 Specdb::NmrOneD 155583 Specdb::NmrOneD 155584 Specdb::NmrOneD 155585 Specdb::NmrOneD 155586 Specdb::NmrOneD 155587 Specdb::NmrOneD 155588 Specdb::NmrOneD 155589 Specdb::MsMs 314689 Specdb::MsMs 314690 Specdb::MsMs 314691 Specdb::MsMs 360490 Specdb::MsMs 360491 Specdb::MsMs 360492 Specdb::MsMs 2685966 Specdb::MsMs 2685967 Specdb::MsMs 2685968 Specdb::MsMs 2992199 Specdb::MsMs 2992200 Specdb::MsMs 2992201 FDB111903 35032809 85611882