2-azanyl-5-[2-(phenylmethoxymethyl)-4-(triphenylmethyl)sulfanyl-pyrrolidin-1-yl]sulfonyl-benzoic acid

Systemtic Name: 2-azanyl-5-[2-(phenylmethoxymethyl)-4-(triphenylmethyl)sulfanyl-pyrrolidin-1-yl]sulfonyl-benzoic acid Openeye Name: 2-amino-5-[2-(benzyloxymethyl)-4-tritylsulfanyl-pyrrolidin-1-yl]sulfonyl-benzoic acid CAS Name: 2-amino-5-[[2-(phenylmethoxymethyl)-4-[(triphenylmethyl)thio]-1-pyrrolidinyl]sulfonyl]benzoic acid IUPAC Name: 2-amino-5-[2-(phenylmethoxymethyl)-4-tritylsulfanylpyrrolidin-1-yl]sulfonylbenzoic acid Traditional Name: 2-amino-5-[2-(benzoxymethyl)-4-(tritylthio)pyrrolidino]sulfonyl-benzoic acid Formula: C38H36N2O5S2 MolecularWeight: 664.83284

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1COCC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)N)C(=O)O)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C(CN(C1COCC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)N)C(=O)O)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C38H36N2O5S2/c39-36-22-21-34(24-35(36)37(41)42)47(43,44)40-25-33(23-32(40)27-45-26-28-13-5-1-6-14-28)46-38(29-15-7-2-8-16-29,30-17-9-3-10-18-30)31-19-11-4-12-20-31/h1-22,24,32-33H,23,25-27,39H2,(H,41,42)