4-[[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]methyl]-N-(2,3-dimethylphenyl)cyclohexane-1-carboxamide

Systemtic Name: 4-[[[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]methyl]-N-(2,3-dimethylphenyl)cyclohexane-1-carboxamide Openeye Name: 4-[[[(2R)-2-amino-3-sulfanyl-propanoyl]amino]methyl]-N-(2,3-dimethylphenyl)cyclohexanecarboxamide CAS Name: 4-[[[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]methyl]-N-(2,3-dimethylphenyl)-1-cyclohexanecarboxamide IUPAC Name: 4-[[[(2R)-2-amino-3-sulfanylpropanoyl]amino]methyl]-N-(2,3-dimethylphenyl)cyclohexane-1-carboxamide Traditional Name: 4-[[[(2R)-2-amino-3-mercapto-propanoyl]amino]methyl]-N-(2,3-dimethylphenyl)cyclohexanecarboxamide Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C2CCC(CC2)CNC(=O)C(CS)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C2CCC(CC2)CNC(=O)[C@H](CS)N)C

InChI

InChI=1S/C19H29N3O2S/c1-12-4-3-5-17(13(12)2)22-18(23)15-8-6-14(7-9-15)10-21-19(24)16(20)11-25/h3-5,14-16,25H,6-11,20H2,1-2H3,(H,21,24)(H,22,23)/t14?,15?,16-/m0/s1