2-[(2-acetamido-4-methylsulfanyl-butanoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid

Systemtic Name: 2-[(2-acetamido-4-methylsulfanyl-butanoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid Openeye Name: 2-[(2-acetamido-4-methylsulfanyl-butanoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid CAS Name: 2-[[2-acetamido-4-(methylthio)-1-oxobutyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid IUPAC Name: 2-[(2-acetamido-4-methylsulfanylbutanoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid Traditional Name: 2-[[2-acetamido-4-(methylthio)butanoyl]amino]-3-(3,4-dimethoxyphenyl)propionic acid Formula: C18H26N2O6S MolecularWeight: 398.47384

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)NC(CC1=CC(=C(C=C1)OC)OC)C(=O)O

Isomeric SMILES

CC(=O)NC(CCSC)C(=O)NC(CC1=CC(=C(C=C1)OC)OC)C(=O)O

InChI

InChI=1S/C18H26N2O6S/c1-11(21)19-13(7-8-27-4)17(22)20-14(18(23)24)9-12-5-6-15(25-2)16(10-12)26-3/h5-6,10,13-14H,7-9H2,1-4H3,(H,19,21)(H,20,22)(H,23,24)