4-methylsulfanyl-2-[(5,6,7-trimethoxy-1-methyl-indol-2-yl)carbonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(5,6,7-trimethoxy-1-methyl-indol-2-yl)carbonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[(5,6,7-trimethoxy-1-methyl-indole-2-carbonyl)amino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-(5,6,7-trimethoxy-1-methyl-2-indolyl)methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(5,6,7-trimethoxy-1-methylindole-2-carbonyl)amino]butanoic acid Traditional Name: 4-(methylthio)-2-[(5,6,7-trimethoxy-1-methyl-indole-2-carbonyl)amino]butyric acid Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC2=CC(=C(C(=C21)OC)OC)OC)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CN1C(=CC2=CC(=C(C(=C21)OC)OC)OC)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C18H24N2O6S/c1-20-12(17(21)19-11(18(22)23)6-7-27-5)8-10-9-13(24-2)15(25-3)16(26-4)14(10)20/h8-9,11H,6-7H2,1-5H3,(H,19,21)(H,22,23)