2-(4-methylphenyl)sulfonyl-3-phenyl-2-[[4-(phenylcarbonyl)piperazin-1-yl]carbonyloxy-pyrrolidin-2-ylcarbonyl-amino]propanoic acid

Systemtic Name: 2-(4-methylphenyl)sulfonyl-3-phenyl-2-[[4-(phenylcarbonyl)piperazin-1-yl]carbonyloxy-pyrrolidin-2-ylcarbonyl-amino]propanoic acid Openeye Name: 2-[(4-benzoylpiperazine-1-carbonyl)oxy-(pyrrolidine-2-carbonyl)amino]-3-phenyl-2-(p-tolylsulfonyl)propanoic acid CAS Name: 2-[[(4-benzoyl-1-piperazinyl)-oxomethoxy]-[oxo(2-pyrrolidinyl)methyl]amino]-2-(4-methylphenyl)sulfonyl-3-phenylpropanoic acid IUPAC Name: 2-[(4-benzoylpiperazine-1-carbonyl)oxy-(pyrrolidine-2-carbonyl)amino]-2-(4-methylphenyl)sulfonyl-3-phenylpropanoic acid Traditional Name: 2-[(4-benzoylpiperazine-1-carbonyl)oxy-prolyl-amino]-3-phenyl-2-tosyl-propionic acid Formula: C33H36N4O8S MolecularWeight: 648.72594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=CC=C2)(C(=O)O)N(C(=O)C3CCCN3)OC(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(CC2=CC=CC=C2)(C(=O)O)N(C(=O)C3CCCN3)OC(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H36N4O8S/c1-24-14-16-27(17-15-24)46(43,44)33(31(40)41,23-25-9-4-2-5-10-25)37(30(39)28-13-8-18-34-28)45-32(42)36-21-19-35(20-22-36)29(38)26-11-6-3-7-12-26/h2-7,9-12,14-17,28,34H,8,13,18-23H2,1H3,(H,40,41)