2-[[3-phenyl-2-(triphenylmethyl)sulfanyl-propanoyl]amino]butanedioic acid

Systemtic Name: 2-[[3-phenyl-2-(triphenylmethyl)sulfanyl-propanoyl]amino]butanedioic acid Openeye Name: 2-[(3-phenyl-2-tritylsulfanyl-propanoyl)amino]butanedioic acid CAS Name: 2-[[1-oxo-3-phenyl-2-[(triphenylmethyl)thio]propyl]amino]butanedioic acid IUPAC Name: 2-[(3-phenyl-2-tritylsulfanylpropanoyl)amino]butanedioic acid Traditional Name: 2-[[3-phenyl-2-(tritylthio)propanoyl]amino]succinic acid Formula: C32H29NO5S MolecularWeight: 539.64136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC(=O)O)C(=O)O)SC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C32H29NO5S/c34-29(35)22-27(31(37)38)33-30(36)28(21-23-13-5-1-6-14-23)39-32(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20,27-28H,21-22H2,(H,33,36)(H,34,35)(H,37,38)