[5-formamido-5-(4-methylphenyl)sulfonyl-1-pyrrolidin-2-ylcarbonyl-pyrrolidin-3-yl] 2-azanyl-3-phenyl-propanoate

Systemtic Name: [5-formamido-5-(4-methylphenyl)sulfonyl-1-pyrrolidin-2-ylcarbonyl-pyrrolidin-3-yl] 2-azanyl-3-phenyl-propanoate Openeye Name: [5-formamido-5-(p-tolylsulfonyl)-1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl] 2-amino-3-phenyl-propanoate CAS Name: 2-amino-3-phenylpropanoic acid [5-formamido-5-(4-methylphenyl)sulfonyl-1-[oxo(2-pyrrolidinyl)methyl]-3-pyrrolidinyl] ester IUPAC Name: [5-formamido-5-(4-methylphenyl)sulfonyl-1-(pyrrolidine-2-carbonyl)pyrrolidin-3-yl] 2-amino-3-phenylpropanoate Traditional Name: 2-amino-3-phenyl-propionic acid (5-formamido-1-prolyl-5-tosyl-pyrrolidin-3-yl) ester Formula: C26H32N4O6S MolecularWeight: 528.62048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2(CC(CN2C(=O)C3CCCN3)OC(=O)C(CC4=CC=CC=C4)N)NC=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2(CC(CN2C(=O)C3CCCN3)OC(=O)C(CC4=CC=CC=C4)N)NC=O

InChI

InChI=1S/C26H32N4O6S/c1-18-9-11-21(12-10-18)37(34,35)26(29-17-31)15-20(16-30(26)24(32)23-8-5-13-28-23)36-25(33)22(27)14-19-6-3-2-4-7-19/h2-4,6-7,9-12,17,20,22-23,28H,5,8,13-16,27H2,1H3,(H,29,31)