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

Systemtic Name: 2-[(2-azanyl-4-methylsulfanyl-butanoyl)-ethanoyl-amino]-3-(3,4-dimethoxyphenyl)propanoic acid Openeye Name: 2-[acetyl-(2-amino-4-methylsulfanyl-butanoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid CAS Name: 2-[acetyl-[2-amino-4-(methylthio)-1-oxobutyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid IUPAC Name: 2-[acetyl-(2-amino-4-methylsulfanylbutanoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic acid Traditional Name: 2-[acetyl-[2-amino-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)N(C(CC1=CC(=C(C=C1)OC)OC)C(=O)O)C(=O)C(CCSC)N

Isomeric SMILES

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

InChI

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