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

Systemtic Name: N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-(phenethylamino)propan-2-yl]-2-(2-sulfanylethanoyl)nonanamide Openeye Name: N-[(1S)-1-(cyclohexylmethyl)-2-oxo-2-(phenethylamino)ethyl]-2-(2-sulfanylacetyl)nonanamide CAS Name: N-[(2S)-3-cyclohexyl-1-oxo-1-(phenethylamino)propan-2-yl]-2-(2-mercapto-1-oxoethyl)nonanamide IUPAC Name: N-[(2S)-3-cyclohexyl-1-oxo-1-(phenethylamino)propan-2-yl]-2-(2-sulfanylacetyl)nonanamide Traditional Name: N-[(1S)-1-(cyclohexylmethyl)-2-keto-2-(phenethylamino)ethyl]-2-(2-mercaptoacetyl)pelargonamide Formula: C28H44N2O3S MolecularWeight: 488.72556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(=O)CS)C(=O)NC(CC1CCCCC1)C(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C28H44N2O3S/c1-2-3-4-5-12-17-24(26(31)21-34)27(32)30-25(20-23-15-10-7-11-16-23)28(33)29-19-18-22-13-8-6-9-14-22/h6,8-9,13-14,23-25,34H,2-5,7,10-12,15-21H2,1H3,(H,29,33)(H,30,32)/t24?,25-/m0/s1