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

Systemtic Name: 2-[2,5-bis(azanyl)pentanoylamino]-4-cyclohexyl-butanoic acid; quinoline-3-carboxamide Openeye Name: 4-cyclohexyl-2-(2,5-diaminopentanoylamino)butanoic acid; quinoline-3-carboxamide CAS Name: 4-cyclohexyl-2-[(2,5-diamino-1-oxopentyl)amino]butanoic acid; 3-quinolinecarboxamide IUPAC Name: 4-cyclohexyl-2-(2,5-diaminopentanoylamino)butanoic acid; quinoline-3-carboxamide Traditional Name: 4-cyclohexyl-2-(2,5-diaminopentanoylamino)butyric acid; quinoline-3-carboxamide Formula: C25H37N5O4 MolecularWeight: 471.59238

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(C(=O)O)NC(=O)C(CCCN)N.C1=CC=C2C(=C1)C=C(C=N2)C(=O)N

Isomeric SMILES

C1CCC(CC1)CCC(C(=O)O)NC(=O)C(CCCN)N.C1=CC=C2C(=C1)C=C(C=N2)C(=O)N

InChI

InChI=1S/C15H29N3O3.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/h11-13H,1-10,16-17H2,(H,18,19)(H,20,21);1-6H,(H2,11,13)