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

Systemtic Name: 2-phenyl-2-[phenyl-[1-(3-sulfanylpropanoyl)-2-(triphenylmethyl)pyrrolidin-2-yl]carbonyl-amino]propanoic acid Openeye Name: 2-phenyl-2-(N-[1-(3-sulfanylpropanoyl)-2-trityl-pyrrolidine-2-carbonyl]anilino)propanoic acid CAS Name: 2-(N-[[1-(3-mercapto-1-oxopropyl)-2-(triphenylmethyl)-2-pyrrolidinyl]-oxomethyl]anilino)-2-phenylpropanoic acid IUPAC Name: 2-phenyl-2-(N-[1-(3-sulfanylpropanoyl)-2-tritylpyrrolidine-2-carbonyl]anilino)propanoic acid Traditional Name: 2-(N-[1-(3-mercaptopropanoyl)-2-trityl-prolyl]anilino)-2-phenyl-propionic acid Formula: C42H40N2O4S MolecularWeight: 668.843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(=O)O)N(C2=CC=CC=C2)C(=O)C3(CCCN3C(=O)CCS)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC(C1=CC=CC=C1)(C(=O)O)N(C2=CC=CC=C2)C(=O)C3(CCCN3C(=O)CCS)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C42H40N2O4S/c1-40(39(47)48,32-18-7-2-8-19-32)44(36-26-15-6-16-27-36)38(46)41(29-17-30-43(41)37(45)28-31-49)42(33-20-9-3-10-21-33,34-22-11-4-12-23-34)35-24-13-5-14-25-35/h2-16,18-27,49H,17,28-31H2,1H3,(H,47,48)