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

Systemtic Name: 2-[(2-acetamido-4-methylsulfanyl-butanoyl)amino]-3-(3,4-diethoxyphenyl)propanoic acid Openeye Name: 2-[(2-acetamido-4-methylsulfanyl-butanoyl)amino]-3-(3,4-diethoxyphenyl)propanoic acid CAS Name: 2-[[2-acetamido-4-(methylthio)-1-oxobutyl]amino]-3-(3,4-diethoxyphenyl)propanoic acid IUPAC Name: 2-[(2-acetamido-4-methylsulfanylbutanoyl)amino]-3-(3,4-diethoxyphenyl)propanoic acid Traditional Name: 2-[[2-acetamido-4-(methylthio)butanoyl]amino]-3-(3,4-diethoxyphenyl)propionic acid Formula: C20H30N2O6S MolecularWeight: 426.527

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)C(CCSC)NC(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CC(C(=O)O)NC(=O)C(CCSC)NC(=O)C)OCC

InChI

InChI=1S/C20H30N2O6S/c1-5-27-17-8-7-14(12-18(17)28-6-2)11-16(20(25)26)22-19(24)15(9-10-29-4)21-13(3)23/h7-8,12,15-16H,5-6,9-11H2,1-4H3,(H,21,23)(H,22,24)(H,25,26)