2-[(4-azanylpyrrolidin-2-yl)carbonylamino]-4-phenyl-butanoic acid; quinoline-3-carboxamide; trihydrochloride

Systemtic Name: 2-[(4-azanylpyrrolidin-2-yl)carbonylamino]-4-phenyl-butanoic acid; quinoline-3-carboxamide; trihydrochloride Openeye Name: 2-[(4-aminopyrrolidine-2-carbonyl)amino]-4-phenyl-butanoic acid; quinoline-3-carboxamide; trihydrochloride CAS Name: 2-[[(4-amino-2-pyrrolidinyl)-oxomethyl]amino]-4-phenylbutanoic acid; 3-quinolinecarboxamide; trihydrochloride IUPAC Name: 2-[(4-aminopyrrolidine-2-carbonyl)amino]-4-phenylbutanoic acid; quinoline-3-carboxamide; trihydrochloride Traditional Name: 2-[(4-aminoprolyl)amino]-4-phenyl-butyric acid; quinoline-3-carboxamide; trihydrochloride Formula: C25H32Cl3N5O4 MolecularWeight: 572.91168

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)O)N.C1=CC=C2C(=C1)C=C(C=N2)C(=O)N.Cl.Cl.Cl

Isomeric SMILES

C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C(=O)O)N.C1=CC=C2C(=C1)C=C(C=N2)C(=O)N.Cl.Cl.Cl

InChI

InChI=1S/C15H21N3O3.C10H8N2O.3ClH/c16-11-8-13(17-9-11)14(19)18-12(15(20)21)7-6-10-4-2-1-3-5-10;11-10(13)8-5-7-3-1-2-4-9(7)12-6-8;;;/h1-5,11-13,17H,6-9,16H2,(H,18,19)(H,20,21);1-6H,(H2,11,13);3*1H