(2S)-2-(cyclohexylmethyl)-2-[(3-oxidanylidene-4-sulfanyl-butanoyl)amino]-N-phenethyl-nonanamide

Systemtic Name: (2S)-2-(cyclohexylmethyl)-2-[(3-oxidanylidene-4-sulfanyl-butanoyl)amino]-N-phenethyl-nonanamide Openeye Name: (2S)-2-(cyclohexylmethyl)-2-[(3-oxo-4-sulfanyl-butanoyl)amino]-N-phenethyl-nonanamide CAS Name: (2S)-2-(cyclohexylmethyl)-2-[(4-mercapto-1,3-dioxobutyl)amino]-N-phenethylnonanamide IUPAC Name: (2S)-2-(cyclohexylmethyl)-2-[(3-oxo-4-sulfanylbutanoyl)amino]-N-phenethylnonanamide Traditional Name: (2S)-2-(cyclohexylmethyl)-2-[(3-keto-4-mercapto-butanoyl)amino]-N-phenethyl-pelargonamide Formula: C28H44N2O3S MolecularWeight: 488.72556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCC[C@](CC1CCCCC1)(C(=O)NCCC2=CC=CC=C2)NC(=O)CC(=O)CS

InChI

InChI=1S/C28H44N2O3S/c1-2-3-4-5-12-18-28(21-24-15-10-7-11-16-24,30-26(32)20-25(31)22-34)27(33)29-19-17-23-13-8-6-9-14-23/h6,8-9,13-14,24,34H,2-5,7,10-12,15-22H2,1H3,(H,29,33)(H,30,32)/t28-/m0/s1