2-[[(2S,4R)-1-naphthalen-2-ylsulfonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]carbonylamino]pent-4-enoic acid

Systemtic Name: 2-[[(2S,4R)-1-naphthalen-2-ylsulfonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]carbonylamino]pent-4-enoic acid Openeye Name: 2-[[(2S,4R)-1-(2-naphthylsulfonyl)-4-tritylsulfanyl-pyrrolidine-2-carbonyl]amino]pent-4-enoic acid CAS Name: 2-[[[(2S,4R)-1-(2-naphthalenylsulfonyl)-4-[(triphenylmethyl)thio]-2-pyrrolidinyl]-oxomethyl]amino]-4-pentenoic acid IUPAC Name: 2-[[(2S,4R)-1-naphthalen-2-ylsulfonyl-4-tritylsulfanylpyrrolidine-2-carbonyl]amino]pent-4-enoic acid Traditional Name: 2-[[(2S,4R)-1-(2-naphthylsulfonyl)-4-(tritylthio)prolyl]amino]pent-4-enoic acid Formula: C39H36N2O5S2 MolecularWeight: 676.84354

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(C(=O)O)NC(=O)C1CC(CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C=CCC(C(=O)O)NC(=O)[C@@H]1C[C@H](CN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C39H36N2O5S2/c1-2-14-35(38(43)44)40-37(42)36-26-33(27-41(36)48(45,46)34-24-23-28-15-12-13-16-29(28)25-34)47-39(30-17-6-3-7-18-30,31-19-8-4-9-20-31)32-21-10-5-11-22-32/h2-13,15-25,33,35-36H,1,14,26-27H2,(H,40,42)(H,43,44)/t33-,35?,36+/m1/s1