3-[[1-naphthalen-2-ylsulfonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-naphthalen-2-ylsulfonyl-4-(triphenylmethyl)sulfanyl-pyrrolidin-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(2-naphthylsulfonyl)-4-tritylsulfanyl-pyrrolidine-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-(2-naphthalenylsulfonyl)-4-[(triphenylmethyl)thio]-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[(1-naphthalen-2-ylsulfonyl-4-tritylsulfanylpyrrolidine-2-carbonyl)amino]propanoic acid Traditional Name: 3-[[1-(2-naphthylsulfonyl)-4-(tritylthio)prolyl]amino]propionic acid Formula: C37H34N2O5S2 MolecularWeight: 650.80626

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1C(=O)NCCC(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C(CN(C1C(=O)NCCC(=O)O)S(=O)(=O)C2=CC3=CC=CC=C3C=C2)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C37H34N2O5S2/c40-35(41)22-23-38-36(42)34-25-32(26-39(34)46(43,44)33-21-20-27-12-10-11-13-28(27)24-33)45-37(29-14-4-1-5-15-29,30-16-6-2-7-17-30)31-18-8-3-9-19-31/h1-21,24,32,34H,22-23,25-26H2,(H,38,42)(H,40,41)