(2S)-2-[(4,7-dimethoxy-1-methyl-indol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: (2S)-2-[(4,7-dimethoxy-1-methyl-indol-2-yl)carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[(4,7-dimethoxy-1-methyl-indole-2-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(4,7-dimethoxy-1-methyl-2-indolyl)-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[(4,7-dimethoxy-1-methylindole-2-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[(4,7-dimethoxy-1-methyl-indole-2-carbonyl)amino]-4-(methylthio)butyric acid Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CN1C(=CC2=C(C=CC(=C21)OC)OC)C(=O)N[C@@H](CCSC)C(=O)O

InChI

InChI=1S/C17H22N2O5S/c1-19-12(16(20)18-11(17(21)22)7-8-25-4)9-10-13(23-2)5-6-14(24-3)15(10)19/h5-6,9,11H,7-8H2,1-4H3,(H,18,20)(H,21,22)/t11-/m0/s1