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

Systemtic Name: methyl 2-[[2-(2,3-dihydro-1H-inden-1-yl)-3-ethanoylsulfanyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl 2-[(3-acetylsulfanyl-2-indan-1-yl-propanoyl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: 2-[[3-(acetylthio)-2-(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-(2,3-dihydro-1H-inden-1-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: 2-[[3-(acetylthio)-2-indan-1-yl-propanoyl]amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C26H28N2O4S MolecularWeight: 464.57652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C1CCC2=CC=CC=C12)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC(=O)SCC(C1CCC2=CC=CC=C12)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C26H28N2O4S/c1-16(29)33-15-22(21-12-11-17-7-3-4-8-19(17)21)25(30)28-24(26(31)32-2)13-18-14-27-23-10-6-5-9-20(18)23/h3-10,14,21-22,24,27H,11-13,15H2,1-2H3,(H,28,30)