5-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]pentanoic acid; quinoline-3-carboxamide

Systemtic Name: 5-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]pentanoic acid; quinoline-3-carboxamide Openeye Name: 5-amino-2-[(2-amino-3-phenyl-propanoyl)amino]pentanoic acid; quinoline-3-carboxamide CAS Name: 5-amino-2-[(2-amino-1-oxo-3-phenylpropyl)amino]pentanoic acid; 3-quinolinecarboxamide IUPAC Name: 5-amino-2-[(2-amino-3-phenylpropanoyl)amino]pentanoic acid; quinoline-3-carboxamide Traditional Name: 5-amino-2-(phenylalanylamino)valeric acid; quinoline-3-carboxamide Formula: C24H29N5O4 MolecularWeight: 451.51816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCCN)C(=O)O)N.C1=CC=C2C(=C1)C=C(C=N2)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CCCN)C(=O)O)N.C1=CC=C2C(=C1)C=C(C=N2)C(=O)N

InChI

InChI=1S/C14H21N3O3.C10H8N2O/c15-8-4-7-12(14(19)20)17-13(18)11(16)9-10-5-2-1-3-6-10;11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-3,5-6,11-12H,4,7-9,15-16H2,(H,17,18)(H,19,20);1-6H,(H2,11,13)