(2S)-N-[(2S)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]-4-methyl-2-(2-phenylethanoylamino)pentanamide

Systemtic Name: (2S)-N-[(2S)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]-4-methyl-2-(2-phenylethanoylamino)pentanamide Openeye Name: (2S)-N-[(1S)-1-(cyclohexylmethyl)-2-(isobutylamino)-2-oxo-ethyl]-4-methyl-2-[(2-phenylacetyl)amino]pentanamide CAS Name: (2S)-N-[(2S)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-methyl-2-[(1-oxo-2-phenylethyl)amino]pentanamide IUPAC Name: (2S)-N-[(2S)-3-cyclohexyl-1-(2-methylpropylamino)-1-oxopropan-2-yl]-4-methyl-2-[(2-phenylacetyl)amino]pentanamide Traditional Name: (2S)-N-[(1S)-1-(cyclohexylmethyl)-2-(isobutylamino)-2-keto-ethyl]-4-methyl-2-[(2-phenylacetyl)amino]valeramide Formula: C27H43N3O3 MolecularWeight: 457.64862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N3O3/c1-19(2)15-23(29-25(31)17-22-13-9-6-10-14-22)27(33)30-24(26(32)28-18-20(3)4)16-21-11-7-5-8-12-21/h6,9-10,13-14,19-21,23-24H,5,7-8,11-12,15-18H2,1-4H3,(H,28,32)(H,29,31)(H,30,33)/t23-,24-/m0/s1