methyl 2-[[3-ethanoylsulfanyl-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[3-ethanoylsulfanyl-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[3-acetylsulfanyl-2-(6-methoxyindan-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[3-(acetylthio)-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl 2-[[3-acetylsulfanyl-2-(6-methoxy-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[3-(acetylthio)-2-(6-methoxyindan-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C27H30N2O5S MolecularWeight: 494.6025

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1CCC2=C1C=C(C=C2)OC)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC(=O)SCC(C1CCC2=C1C=C(C=C2)OC)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C27H30N2O5S/c1-16(30)35-15-23(21-11-9-17-8-10-19(33-2)13-22(17)21)26(31)29-25(27(32)34-3)12-18-14-28-24-7-5-4-6-20(18)24/h4-8,10,13-14,21,23,25,28H,9,11-12,15H2,1-3H3,(H,29,31)