2-[[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[5-methoxy-2-methyl-1-(phenylmethyl)indol-3-yl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[(1-benzyl-5-methoxy-2-methyl-indole-3-carbonyl)amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[[5-methoxy-2-methyl-1-(phenylmethyl)-3-indolyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[(1-benzyl-5-methoxy-2-methylindole-3-carbonyl)amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[(1-benzyl-5-methoxy-2-methyl-indole-3-carbonyl)amino]-4-(methylthio)butyric acid Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OC)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C23H26N2O4S/c1-15-21(22(26)24-19(23(27)28)11-12-30-3)18-13-17(29-2)9-10-20(18)25(15)14-16-7-5-4-6-8-16/h4-10,13,19H,11-12,14H2,1-3H3,(H,24,26)(H,27,28)