2-[2,5-bis(azanyl)pentanoylamino]-6-phenyl-hexanoic acid; quinoline-3-carboxamide

Systemtic Name: 2-[2,5-bis(azanyl)pentanoylamino]-6-phenyl-hexanoic acid; quinoline-3-carboxamide Openeye Name: 2-(2,5-diaminopentanoylamino)-6-phenyl-hexanoic acid; quinoline-3-carboxamide CAS Name: 2-[(2,5-diamino-1-oxopentyl)amino]-6-phenylhexanoic acid; 3-quinolinecarboxamide IUPAC Name: 2-(2,5-diaminopentanoylamino)-6-phenylhexanoic acid; quinoline-3-carboxamide Traditional Name: 2-(2,5-diaminopentanoylamino)-6-phenyl-hexanoic acid; quinoline-3-carboxamide Formula: C27H35N5O4 MolecularWeight: 493.5979

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C17H27N3O3.C10H8N2O/c18-12-6-10-14(19)16(21)20-15(17(22)23)11-5-4-9-13-7-2-1-3-8-13;11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-3,7-8,14-15H,4-6,9-12,18-19H2,(H,20,21)(H,22,23);1-6H,(H2,11,13)