(2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-3-methyl-N-(3-methylphenyl)pentanamide

Systemtic Name: (2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-3-methyl-N-(3-methylphenyl)pentanamide Openeye Name: (2S)-2-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-3-methyl-N-(m-tolyl)pentanamide CAS Name: (2S)-2-[[(2R)-2-amino-3-mercaptopropyl]amino]-3-methyl-N-(3-methylphenyl)pentanamide IUPAC Name: (2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-3-methyl-N-(3-methylphenyl)pentanamide Traditional Name: (2S)-2-[[(2R)-2-amino-3-mercapto-propyl]amino]-3-methyl-N-(m-tolyl)valeramide Formula: C16H27N3OS MolecularWeight: 309.47008

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=CC(=C1)C)NCC(CS)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)NC1=CC=CC(=C1)C)NC[C@H](CS)N

InChI

InChI=1S/C16H27N3OS/c1-4-12(3)15(18-9-13(17)10-21)16(20)19-14-7-5-6-11(2)8-14/h5-8,12-13,15,18,21H,4,9-10,17H2,1-3H3,(H,19,20)/t12?,13-,15+/m1/s1