2-[[5-formamido-1,4-bis-(4-methylphenyl)sulfonyl-5-pyrrolidin-2-ylcarbonyl-pyrrolidin-3-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[5-formamido-1,4-bis-(4-methylphenyl)sulfonyl-5-pyrrolidin-2-ylcarbonyl-pyrrolidin-3-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[5-formamido-1,4-bis(p-tolylsulfonyl)-5-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[5-formamido-1,4-bis-(4-methylphenyl)sulfonyl-5-[oxo(2-pyrrolidinyl)methyl]-3-pyrrolidinyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[5-formamido-1,4-bis-(4-methylphenyl)sulfonyl-5-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[(5-formamido-5-prolyl-1,4-ditosyl-pyrrolidin-3-yl)amino]-3-phenyl-propionic acid Formula: C33H38N4O8S2 MolecularWeight: 682.80682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2C(CN(C2(C(=O)C3CCCN3)NC=O)S(=O)(=O)C4=CC=C(C=C4)C)NC(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2C(CN(C2(C(=O)C3CCCN3)NC=O)S(=O)(=O)C4=CC=C(C=C4)C)NC(CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C33H38N4O8S2/c1-22-10-14-25(15-11-22)46(42,43)31-29(36-28(32(40)41)19-24-7-4-3-5-8-24)20-37(47(44,45)26-16-12-23(2)13-17-26)33(31,35-21-38)30(39)27-9-6-18-34-27/h3-5,7-8,10-17,21,27-29,31,34,36H,6,9,18-20H2,1-2H3,(H,35,38)(H,40,41)