2-[(4-methylphenyl)sulfonyl-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]amino]ethanoic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonyl-[(1-naphthalen-2-ylsulfonyl-4-sulfanyl-pyrrolidin-2-yl)carbonylamino]amino]ethanoic acid Openeye Name: 2-[[[1-(2-naphthylsulfonyl)-4-sulfanyl-pyrrolidine-2-carbonyl]amino]-(p-tolylsulfonyl)amino]acetic acid CAS Name: 2-[[[[4-mercapto-1-(2-naphthalenylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-(4-methylphenyl)sulfonylamino]acetic acid IUPAC Name: 2-[(4-methylphenyl)sulfonyl-[(1-naphthalen-2-ylsulfonyl-4-sulfanylpyrrolidine-2-carbonyl)amino]amino]acetic acid Traditional Name: 2-[[[4-mercapto-1-(2-naphthylsulfonyl)prolyl]amino]-tosyl-amino]acetic acid Formula: C24H25N3O7S3 MolecularWeight: 563.6662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)NC(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)O)NC(=O)C2CC(CN2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)S

InChI

InChI=1S/C24H25N3O7S3/c1-16-6-9-20(10-7-16)37(33,34)27(15-23(28)29)25-24(30)22-13-19(35)14-26(22)36(31,32)21-11-8-17-4-2-3-5-18(17)12-21/h2-12,19,22,35H,13-15H2,1H3,(H,25,30)(H,28,29)