2-[(2-azanyl-3-phenyl-propanoyl)-(3-methylbutanoyl)amino]-N-(1-cyclohexyl-3-propan-2-ylimino-propan-2-yl)pentanamide

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)-(3-methylbutanoyl)amino]-N-(1-cyclohexyl-3-propan-2-ylimino-propan-2-yl)pentanamide Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)-(3-methylbutanoyl)amino]-N-[1-(cyclohexylmethyl)-2-isopropylimino-ethyl]pentanamide CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-(3-methyl-1-oxobutyl)amino]-N-(1-cyclohexyl-3-propan-2-yliminopropan-2-yl)pentanamide IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)-(3-methylbutanoyl)amino]-N-(1-cyclohexyl-3-propan-2-yliminopropan-2-yl)pentanamide Traditional Name: N-[1-(cyclohexylmethyl)-2-isopropylimino-ethyl]-2-[isovaleryl(phenylalanyl)amino]valeramide Formula: C31H50N4O3 MolecularWeight: 526.7537

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CC1CCCCC1)C=NC(C)C)N(C(=O)CC(C)C)C(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CCCC(C(=O)NC(CC1CCCCC1)C=NC(C)C)N(C(=O)CC(C)C)C(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C31H50N4O3/c1-6-13-28(30(37)34-26(21-33-23(4)5)19-24-14-9-7-10-15-24)35(29(36)18-22(2)3)31(38)27(32)20-25-16-11-8-12-17-25/h8,11-12,16-17,21-24,26-28H,6-7,9-10,13-15,18-20,32H2,1-5H3,(H,34,37)