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

Systemtic Name: 2-[2,3-bis(phenylcarbonylsulfanyl)propanoyl-methyl-amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[2,3-bis(benzoylsulfanyl)propanoyl-methyl-amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2,3-bis(benzoylthio)-1-oxopropyl]-methylamino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[2,3-bis(benzoylsulfanyl)propanoyl-methylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[2,3-bis(benzoylthio)propanoyl-methyl-amino]-3-(1H-indol-3-yl)propionic acid Formula: C29H26N2O5S2 MolecularWeight: 546.65714

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CNC2=CC=CC=C21)C(=O)O)C(=O)C(CSC(=O)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4

Isomeric SMILES

CN(C(CC1=CNC2=CC=CC=C21)C(=O)O)C(=O)C(CSC(=O)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C29H26N2O5S2/c1-31(24(27(33)34)16-21-17-30-23-15-9-8-14-22(21)23)26(32)25(38-29(36)20-12-6-3-7-13-20)18-37-28(35)19-10-4-2-5-11-19/h2-15,17,24-25,30H,16,18H2,1H3,(H,33,34)