6-methyl-4-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-3-sulfanyl-heptanoic acid

Systemtic Name: 6-methyl-4-[[1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-3-sulfanyl-heptanoic acid Openeye Name: 4-[[1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-6-methyl-3-sulfanyl-heptanoic acid CAS Name: 3-mercapto-6-methyl-4-[[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]heptanoic acid IUPAC Name: 6-methyl-4-[[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-3-sulfanylheptanoic acid Traditional Name: 4-[[1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]-3-mercapto-6-methyl-enanthic acid Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CC(=O)O)S)C(=O)NC(CC1=CC=CC=C1)C(=O)NC

Isomeric SMILES

CC(C)CC(C(CC(=O)O)S)C(=O)NC(CC1=CC=CC=C1)C(=O)NC

InChI

InChI=1S/C19H28N2O4S/c1-12(2)9-14(16(26)11-17(22)23)18(24)21-15(19(25)20-3)10-13-7-5-4-6-8-13/h4-8,12,14-16,26H,9-11H2,1-3H3,(H,20,25)(H,21,24)(H,22,23)