3-(acetamidomethylsulfanyl)-2-[(2-azanyl-3-sulfanyl-propyl)amino]-N-(2,3-dimethylphenyl)-3-methyl-butanamide

Systemtic Name: 3-(acetamidomethylsulfanyl)-2-[(2-azanyl-3-sulfanyl-propyl)amino]-N-(2,3-dimethylphenyl)-3-methyl-butanamide Openeye Name: 3-(acetamidomethylsulfanyl)-2-[(2-amino-3-sulfanyl-propyl)amino]-N-(2,3-dimethylphenyl)-3-methyl-butanamide CAS Name: 3-(acetamidomethylthio)-2-[(2-amino-3-mercaptopropyl)amino]-N-(2,3-dimethylphenyl)-3-methylbutanamide IUPAC Name: 3-(acetamidomethylsulfanyl)-2-[(2-amino-3-sulfanylpropyl)amino]-N-(2,3-dimethylphenyl)-3-methylbutanamide Traditional Name: 3-(acetamidomethylthio)-2-[(2-amino-3-mercapto-propyl)amino]-N-(2,3-dimethylphenyl)-3-methyl-butyramide Formula: C19H32N4O2S2 MolecularWeight: 412.61298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(C(C)(C)SCNC(=O)C)NCC(CS)N)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(C(C)(C)SCNC(=O)C)NCC(CS)N)C

InChI

InChI=1S/C19H32N4O2S2/c1-12-7-6-8-16(13(12)2)23-18(25)17(21-9-15(20)10-26)19(4,5)27-11-22-14(3)24/h6-8,15,17,21,26H,9-11,20H2,1-5H3,(H,22,24)(H,23,25)