(2S)-2-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indole-3-carbonyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[[1-[(4-chlorophenyl)-oxomethyl]-5-methoxy-2-methyl-3-indolyl]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[1-(4-chlorobenzoyl)-5-methoxy-2-methylindole-3-carbonyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indole-3-carbonyl]amino]-3-hydroxy-propionic acid Formula: C21H19ClN2O6 MolecularWeight: 430.83836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)C(=O)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C21H19ClN2O6/c1-11-18(19(26)23-16(10-25)21(28)29)15-9-14(30-2)7-8-17(15)24(11)20(27)12-3-5-13(22)6-4-12/h3-9,16,25H,10H2,1-2H3,(H,23,26)(H,28,29)/t16-/m0/s1