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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H43N3O3/c1-4-5-16-28-26(32)24(18-21-12-8-6-9-13-21)30-27(33)23(17-20(2)3)29-25(31)19-22-14-10-7-11-15-22/h7,10-11,14-15,20-21,23-24H,4-6,8-9,12-13,16-19H2,1-3H3,(H,28,32)(H,29,31)(H,30,33)/t23-,24-/m0/s1