propan-2-yl (3R,4S)-4-(3-carbamimidoylphenyl)-1-[4-(2-sulfamoylphenyl)phenyl]sulfonyl-pyrrolidine-3-carboxylate

Systemtic Name: propan-2-yl (3R,4S)-4-(3-carbamimidoylphenyl)-1-[4-(2-sulfamoylphenyl)phenyl]sulfonyl-pyrrolidine-3-carboxylate Openeye Name: isopropyl (3R,4S)-4-(3-carbamimidoylphenyl)-1-[4-(2-sulfamoylphenyl)phenyl]sulfonyl-pyrrolidine-3-carboxylate CAS Name: (3R,4S)-4-(3-carbamimidoylphenyl)-1-[4-(2-sulfamoylphenyl)phenyl]sulfonyl-3-pyrrolidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl (3R,4S)-4-(3-carbamimidoylphenyl)-1-[4-(2-sulfamoylphenyl)phenyl]sulfonylpyrrolidine-3-carboxylate Traditional Name: (3R,4S)-4-(3-amidinophenyl)-1-[4-(2-sulfamoylphenyl)phenyl]sulfonyl-pyrrolidine-3-carboxylic acid isopropyl ester Formula: C27H30N4O6S2 MolecularWeight: 570.6803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CN(CC1C2=CC=CC(=C2)C(=N)N)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N

Isomeric SMILES

CC(C)OC(=O)[C@H]1CN(C[C@@H]1C2=CC=CC(=C2)C(=N)N)S(=O)(=O)C3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N

InChI

InChI=1S/C27H30N4O6S2/c1-17(2)37-27(32)24-16-31(15-23(24)19-6-5-7-20(14-19)26(28)29)39(35,36)21-12-10-18(11-13-21)22-8-3-4-9-25(22)38(30,33)34/h3-14,17,23-24H,15-16H2,1-2H3,(H3,28,29)(H2,30,33,34)/t23-,24+/m1/s1