(2S)-N-(4-methylcyclohexyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide

Systemtic Name: (2S)-N-(4-methylcyclohexyl)-4-methylsulfanyl-2-(2-phenoxyethanoylamino)butanamide Openeye Name: (2S)-N-(4-methylcyclohexyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide CAS Name: (2S)-N-(4-methylcyclohexyl)-4-(methylthio)-2-[(1-oxo-2-phenoxyethyl)amino]butanamide IUPAC Name: (2S)-N-(4-methylcyclohexyl)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanamide Traditional Name: (2S)-N-(4-methylcyclohexyl)-4-(methylthio)-2-[(2-phenoxyacetyl)amino]butyramide Formula: C20H30N2O3S MolecularWeight: 378.5288

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)NC(=O)C(CCSC)NC(=O)COC2=CC=CC=C2

Isomeric SMILES

CC1CCC(CC1)NC(=O)[C@H](CCSC)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C20H30N2O3S/c1-15-8-10-16(11-9-15)21-20(24)18(12-13-26-2)22-19(23)14-25-17-6-4-3-5-7-17/h3-7,15-16,18H,8-14H2,1-2H3,(H,21,24)(H,22,23)/t15?,16?,18-/m0/s1