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

Systemtic Name: (2S)-2-[[(2R)-2-azanyl-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)-3-methyl-pentanamide Openeye Name: (2S)-2-[[(2R)-2-amino-3-sulfanyl-propyl]amino]-N-(2,3-dimethylphenyl)-3-methyl-pentanamide CAS Name: (2S)-2-[[(2R)-2-amino-3-mercaptopropyl]amino]-N-(2,3-dimethylphenyl)-3-methylpentanamide IUPAC Name: (2S)-2-[[(2R)-2-amino-3-sulfanylpropyl]amino]-N-(2,3-dimethylphenyl)-3-methylpentanamide Traditional Name: (2S)-2-[[(2R)-2-amino-3-mercapto-propyl]amino]-N-(2,3-dimethylphenyl)-3-methyl-valeramide Formula: C17H29N3OS MolecularWeight: 323.49666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=CC=CC(=C1C)C)NCC(CS)N

Isomeric SMILES

CCC(C)[C@@H](C(=O)NC1=CC=CC(=C1C)C)NC[C@H](CS)N

InChI

InChI=1S/C17H29N3OS/c1-5-11(2)16(19-9-14(18)10-22)17(21)20-15-8-6-7-12(3)13(15)4/h6-8,11,14,16,19,22H,5,9-10,18H2,1-4H3,(H,20,21)/t11?,14-,16+/m1/s1