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

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)-(3-methylbutanoyl)amino]-N-(1-cyclohexyl-3-methylimino-propan-2-yl)pentanamide Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)-(3-methylbutanoyl)amino]-N-[1-(cyclohexylmethyl)-2-methylimino-ethyl]pentanamide CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-(3-methyl-1-oxobutyl)amino]-N-(1-cyclohexyl-3-methyliminopropan-2-yl)pentanamide IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)-(3-methylbutanoyl)amino]-N-(1-cyclohexyl-3-methyliminopropan-2-yl)pentanamide Traditional Name: N-[1-(cyclohexylmethyl)-2-methylimino-ethyl]-2-[isovaleryl(phenylalanyl)amino]valeramide Formula: C29H46N4O3 MolecularWeight: 498.70054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46N4O3/c1-5-12-26(28(35)32-24(20-31-4)18-22-13-8-6-9-14-22)33(27(34)17-21(2)3)29(36)25(30)19-23-15-10-7-11-16-23/h7,10-11,15-16,20-22,24-26H,5-6,8-9,12-14,17-19,30H2,1-4H3,(H,32,35)