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

Systemtic Name: methyl 2-[[5-formamido-1,4-bis-(4-methylphenyl)sulfonyl-5-pyrrolidin-2-ylcarbonyl-pyrrolidin-3-yl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[5-formamido-1,4-bis(p-tolylsulfonyl)-5-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]amino]-3-phenyl-propanoate CAS Name: 2-[[5-formamido-1,4-bis-(4-methylphenyl)sulfonyl-5-[oxo(2-pyrrolidinyl)methyl]-3-pyrrolidinyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[5-formamido-1,4-bis-(4-methylphenyl)sulfonyl-5-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl]amino]-3-phenylpropanoate Traditional Name: 2-[(5-formamido-5-prolyl-1,4-ditosyl-pyrrolidin-3-yl)amino]-3-phenyl-propionic acid methyl ester Formula: C34H40N4O8S2 MolecularWeight: 696.8334

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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)OC

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)OC

InChI

InChI=1S/C34H40N4O8S2/c1-23-11-15-26(16-12-23)47(42,43)32-30(37-29(33(41)46-3)20-25-8-5-4-6-9-25)21-38(48(44,45)27-17-13-24(2)14-18-27)34(32,36-22-39)31(40)28-10-7-19-35-28/h4-6,8-9,11-18,22,28-30,32,35,37H,7,10,19-21H2,1-3H3,(H,36,39)