2-[2,2-bis(phenylcarbonylsulfanyl)ethanoylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2,2-bis(phenylcarbonylsulfanyl)ethanoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2,2-bis(benzoylsulfanyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2,2-bis(benzoylthio)-1-oxoethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2,2-bis(benzoylsulfanyl)acetyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2,2-bis(benzoylthio)acetyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C27H22N2O5S2 MolecularWeight: 518.60398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)SC(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC(C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H22N2O5S2/c30-23(29-22(24(31)32)15-19-16-28-21-14-8-7-13-20(19)21)27(35-25(33)17-9-3-1-4-10-17)36-26(34)18-11-5-2-6-12-18/h1-14,16,22,27-28H,15H2,(H,29,30)(H,31,32)