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

Systemtic Name: (2R,3S)-2-azanyl-N-[(2,4-dimethylphenyl)methyl]-3-methyl-2-(3-sulfanylpropylamino)pentanamide Openeye Name: (2R,3S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-3-methyl-2-(3-sulfanylpropylamino)pentanamide CAS Name: (2R,3S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-2-(3-mercaptopropylamino)-3-methylpentanamide IUPAC Name: (2R,3S)-2-amino-N-[(2,4-dimethylphenyl)methyl]-3-methyl-2-(3-sulfanylpropylamino)pentanamide Traditional Name: (2R,3S)-2-amino-N-(2,4-dimethylbenzyl)-2-(3-mercaptopropylamino)-3-methyl-valeramide Formula: C18H31N3OS MolecularWeight: 337.52324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC1=C(C=C(C=C1)C)C)(N)NCCCS

Isomeric SMILES

CC[C@H](C)[C@@](C(=O)NCC1=C(C=C(C=C1)C)C)(N)NCCCS

InChI

InChI=1S/C18H31N3OS/c1-5-15(4)18(19,21-9-6-10-23)17(22)20-12-16-8-7-13(2)11-14(16)3/h7-8,11,15,21,23H,5-6,9-10,12,19H2,1-4H3,(H,20,22)/t15-,18+/m0/s1