methyl 2-[[3-ethanoylsulfanyl-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[3-ethanoylsulfanyl-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[3-acetylsulfanyl-2-(4-methoxyindan-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[3-(acetylthio)-2-(4-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-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[3-(acetylthio)-2-(4-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=CC=C2OC)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC(=O)SCC(C1CCC2=C1C=CC=C2OC)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

InChI

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