(2S)-N-[(2S,3R)-1-cyclohexyl-3-oxidanyl-4-oxidanylidene-5-phenyl-pentan-2-yl]-4-methyl-2-(4-methylpentanoylamino)pentanamide

Systemtic Name: (2S)-N-[(2S,3R)-1-cyclohexyl-3-oxidanyl-4-oxidanylidene-5-phenyl-pentan-2-yl]-4-methyl-2-(4-methylpentanoylamino)pentanamide Openeye Name: (2S)-N-[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-3-oxo-4-phenyl-butyl]-4-methyl-2-(4-methylpentanoylamino)pentanamide CAS Name: (2S)-N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-oxo-5-phenylpentan-2-yl]-4-methyl-2-[(4-methyl-1-oxopentyl)amino]pentanamide IUPAC Name: (2S)-N-[(2S,3R)-1-cyclohexyl-3-hydroxy-4-oxo-5-phenylpentan-2-yl]-4-methyl-2-(4-methylpentanoylamino)pentanamide Traditional Name: (2S)-N-[(1S,2R)-1-(cyclohexylmethyl)-2-hydroxy-3-keto-4-phenyl-butyl]-4-methyl-2-(4-methylpentanoylamino)valeramide Formula: C29H46N2O4 MolecularWeight: 486.68654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC(CC(C)C)C(=O)NC(CC1CCCCC1)C(C(=O)CC2=CC=CC=C2)O

Isomeric SMILES

CC(C)CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@H](C(=O)CC2=CC=CC=C2)O

InChI

InChI=1S/C29H46N2O4/c1-20(2)15-16-27(33)30-25(17-21(3)4)29(35)31-24(18-22-11-7-5-8-12-22)28(34)26(32)19-23-13-9-6-10-14-23/h6,9-10,13-14,20-22,24-25,28,34H,5,7-8,11-12,15-19H2,1-4H3,(H,30,33)(H,31,35)/t24-,25-,28+/m0/s1