N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-(phenethylamino)propan-2-yl]-5-phenyl-2-(2-sulfanylethanoyl)pentanamide

Systemtic Name: N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-(phenethylamino)propan-2-yl]-5-phenyl-2-(2-sulfanylethanoyl)pentanamide Openeye Name: N-[(1S)-1-(cyclohexylmethyl)-2-oxo-2-(phenethylamino)ethyl]-5-phenyl-2-(2-sulfanylacetyl)pentanamide CAS Name: N-[(2S)-3-cyclohexyl-1-oxo-1-(phenethylamino)propan-2-yl]-2-(2-mercapto-1-oxoethyl)-5-phenylpentanamide IUPAC Name: N-[(2S)-3-cyclohexyl-1-oxo-1-(phenethylamino)propan-2-yl]-5-phenyl-2-(2-sulfanylacetyl)pentanamide Traditional Name: N-[(1S)-1-(cyclohexylmethyl)-2-keto-2-(phenethylamino)ethyl]-2-(2-mercaptoacetyl)-5-phenyl-valeramide Formula: C30H40N2O3S MolecularWeight: 508.7152

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NCCC2=CC=CC=C2)NC(=O)C(CCCC3=CC=CC=C3)C(=O)CS

Isomeric SMILES

C1CCC(CC1)C[C@@H](C(=O)NCCC2=CC=CC=C2)NC(=O)C(CCCC3=CC=CC=C3)C(=O)CS

InChI

InChI=1S/C30H40N2O3S/c33-28(22-36)26(18-10-17-23-11-4-1-5-12-23)29(34)32-27(21-25-15-8-3-9-16-25)30(35)31-20-19-24-13-6-2-7-14-24/h1-2,4-7,11-14,25-27,36H,3,8-10,15-22H2,(H,31,35)(H,32,34)/t26?,27-/m0/s1