2-[2,5-bis(azanyl)pentanoylamino]-4-phenyl-butanoic acid; quinoline-3-carboxamide

Systemtic Name: 2-[2,5-bis(azanyl)pentanoylamino]-4-phenyl-butanoic acid; quinoline-3-carboxamide Openeye Name: 2-(2,5-diaminopentanoylamino)-4-phenyl-butanoic acid; quinoline-3-carboxamide CAS Name: 2-[(2,5-diamino-1-oxopentyl)amino]-4-phenylbutanoic acid; 3-quinolinecarboxamide IUPAC Name: 2-(2,5-diaminopentanoylamino)-4-phenylbutanoic acid; quinoline-3-carboxamide Traditional Name: 2-(2,5-diaminopentanoylamino)-4-phenyl-butyric acid; quinoline-3-carboxamide Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O3.C10H8N2O/c16-10-4-7-12(17)14(19)18-13(15(20)21)9-8-11-5-2-1-3-6-11;11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-3,5-6,12-13H,4,7-10,16-17H2,(H,18,19)(H,20,21);1-6H,(H2,11,13)