(2R,3S)-2-azanyl-N-(2,4-dimethylphenyl)-3-methyl-2-(3-sulfanylpropylamino)pentanamide

Systemtic Name: (2R,3S)-2-azanyl-N-(2,4-dimethylphenyl)-3-methyl-2-(3-sulfanylpropylamino)pentanamide Openeye Name: (2R,3S)-2-amino-N-(2,4-dimethylphenyl)-3-methyl-2-(3-sulfanylpropylamino)pentanamide CAS Name: (2R,3S)-2-amino-N-(2,4-dimethylphenyl)-2-(3-mercaptopropylamino)-3-methylpentanamide IUPAC Name: (2R,3S)-2-amino-N-(2,4-dimethylphenyl)-3-methyl-2-(3-sulfanylpropylamino)pentanamide Traditional Name: (2R,3S)-2-amino-N-(2,4-dimethylphenyl)-2-(3-mercaptopropylamino)-3-methyl-valeramide Formula: C17H29N3OS MolecularWeight: 323.49666

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=C(C=C(C=C1)C)C)(N)NCCCS

Isomeric SMILES

CC[C@H](C)[C@@](C(=O)NC1=C(C=C(C=C1)C)C)(N)NCCCS

InChI

InChI=1S/C17H29N3OS/c1-5-14(4)17(18,19-9-6-10-22)16(21)20-15-8-7-12(2)11-13(15)3/h7-8,11,14,19,22H,5-6,9-10,18H2,1-4H3,(H,20,21)/t14-,17+/m0/s1