2-[[2-(2-acetamidopropanoylamino)-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanamide

Systemtic Name: 2-[[2-(2-acetamidopropanoylamino)-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanamide Openeye Name: 2-[[2-(2-acetamidopropanoylamino)-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanamide CAS Name: 2-[[2-[(2-acetamido-1-oxopropyl)amino]-4-(methylthio)-1-oxobutyl]amino]-3-methylbutanamide IUPAC Name: 2-[[2-(2-acetamidopropanoylamino)-4-methylsulfanylbutanoyl]amino]-3-methylbutanamide Traditional Name: 2-[[2-(2-acetamidopropanoylamino)-4-(methylthio)butanoyl]amino]-3-methyl-butyramide Formula: C15H28N4O4S MolecularWeight: 360.47222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)N)NC(=O)C(CCSC)NC(=O)C(C)NC(=O)C

InChI

InChI=1S/C15H28N4O4S/c1-8(2)12(13(16)21)19-15(23)11(6-7-24-5)18-14(22)9(3)17-10(4)20/h8-9,11-12H,6-7H2,1-5H3,(H2,16,21)(H,17,20)(H,18,22)(H,19,23)