methyl 2-[2-[methyl-[(4R)-1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonyl-amino]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[methyl-[(4R)-1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl]carbonyl-amino]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[methyl-[(4R)-1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]acetyl]amino]benzoate CAS Name: 2-[[2-[[[(4R)-4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]-methylamino]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[methyl-[(4R)-1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl]amino]acetyl]amino]benzoate Traditional Name: 2-[[2-[[(4R)-4-mercapto-1-(2-naphthylsulfonyl)prolyl]-methyl-amino]acetyl]amino]benzoic acid methyl ester Formula: C26H27N3O6S2 MolecularWeight: 541.63908

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

CN(CC(=O)NC1=CC=CC=C1C(=O)OC)C(=O)C2C[C@H](CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C26H27N3O6S2/c1-28(16-24(30)27-22-10-6-5-9-21(22)26(32)35-2)25(31)23-14-19(36)15-29(23)37(33,34)20-12-11-17-7-3-4-8-18(17)13-20/h3-13,19,23,36H,14-16H2,1-2H3,(H,27,30)/t19-,23?/m1/s1