methyl 2-[[3-ethanoylsulfanyl-2-(5-methylsulfanyl-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl 2-[[3-ethanoylsulfanyl-2-(5-methylsulfanyl-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[[3-acetylsulfanyl-2-(5-methylsulfanylindan-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[3-(acetylthio)-2-[5-(methylthio)-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-(5-methylsulfanyl-2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[3-(acetylthio)-2-[5-(methylthio)indan-1-yl]propanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C27H30N2O4S2 MolecularWeight: 510.6681

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O4S2/c1-16(30)35-15-23(22-10-8-17-12-19(34-3)9-11-20(17)22)26(31)29-25(27(32)33-2)13-18-14-28-24-7-5-4-6-21(18)24/h4-7,9,11-12,14,22-23,25,28H,8,10,13,15H2,1-3H3,(H,29,31)