3-phenyl-2-[[1-(3-sulfanylpropanoyl)-2-(triphenylmethyl)pyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-phenyl-2-[[1-(3-sulfanylpropanoyl)-2-(triphenylmethyl)pyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-phenyl-2-[[1-(3-sulfanylpropanoyl)-2-trityl-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 2-[[[1-(3-mercapto-1-oxopropyl)-2-(triphenylmethyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-2-[[1-(3-sulfanylpropanoyl)-2-tritylpyrrolidine-2-carbonyl]amino]propanoic acid Traditional Name: 2-[[1-(3-mercaptopropanoyl)-2-trityl-prolyl]amino]-3-phenyl-propionic acid Formula: C36H36N2O4S MolecularWeight: 592.74704

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCS)(C(=O)NC(CC2=CC=CC=C2)C(=O)O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(N(C1)C(=O)CCS)(C(=O)NC(CC2=CC=CC=C2)C(=O)O)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H36N2O4S/c39-32(22-25-43)38-24-13-23-35(38,34(42)37-31(33(40)41)26-27-14-5-1-6-15-27)36(28-16-7-2-8-17-28,29-18-9-3-10-19-29)30-20-11-4-12-21-30/h1-12,14-21,31,43H,13,22-26H2,(H,37,42)(H,40,41)