2-[bis[2-(phenylmethylsulfanyl)ethyl]amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[bis[2-(phenylmethylsulfanyl)ethyl]amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[bis(2-benzylsulfanylethyl)amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[bis[2-(phenylmethylthio)ethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[bis(2-benzylsulfanylethyl)amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[bis[2-(benzylthio)ethyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C29H32N2O2S2 MolecularWeight: 504.70658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCN(CCSCC2=CC=CC=C2)C(CC3=CNC4=CC=CC=C43)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCCN(CCSCC2=CC=CC=C2)C(CC3=CNC4=CC=CC=C43)C(=O)O

InChI

InChI=1S/C29H32N2O2S2/c32-29(33)28(19-25-20-30-27-14-8-7-13-26(25)27)31(15-17-34-21-23-9-3-1-4-10-23)16-18-35-22-24-11-5-2-6-12-24/h1-14,20,28,30H,15-19,21-22H2,(H,32,33)