4-[[[4-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]phenyl]carbonyl-[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpyrrolidin-3-yl]amino]methyl]benzoic acid

Systemtic Name: 4-[[[4-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]phenyl]carbonyl-[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpyrrolidin-3-yl]amino]methyl]benzoic acid Openeye Name: 4-[[[4-[[(Z)-N,N'-bis(tert-butoxycarbonyl)carbamimidoyl]amino]benzoyl]-[1-[(E)-2-(4-chlorophenyl)vinyl]sulfonylpyrrolidin-3-yl]amino]methyl]benzoic acid CAS Name: 4-[[[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonyl-3-pyrrolidinyl]-[[4-[[(Z)-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-[(2-methylpropan-2-yl)oxy-oxomethyl]iminomethyl]amino]phenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[4-[[(Z)-N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]benzoyl]-[1-[(E)-2-(4-chlorophenyl)ethenyl]sulfonylpyrrolidin-3-yl]amino]methyl]benzoic acid Traditional Name: 4-[[[4-[[(Z)-N,N'-bis(tert-butoxycarbonyl)amidino]amino]benzoyl]-[1-[(E)-2-(4-chlorophenyl)vinyl]sulfonylpyrrolidin-3-yl]amino]methyl]benzoic acid Formula: C38H44ClN5O9S MolecularWeight: 782.30206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=NC(=O)OC(C)(C)C)NC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)C(=O)O)C3CCN(C3)S(=O)(=O)C=CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N/C(=N\C(=O)OC(C)(C)C)/NC1=CC=C(C=C1)C(=O)N(CC2=CC=C(C=C2)C(=O)O)C3CCN(C3)S(=O)(=O)/C=C/C4=CC=C(C=C4)Cl

InChI

InChI=1S/C38H44ClN5O9S/c1-37(2,3)52-35(48)41-34(42-36(49)53-38(4,5)6)40-30-17-13-27(14-18-30)32(45)44(23-26-7-11-28(12-8-26)33(46)47)31-19-21-43(24-31)54(50,51)22-20-25-9-15-29(39)16-10-25/h7-18,20,22,31H,19,21,23-24H2,1-6H3,(H,46,47)(H2,40,41,42,48,49)/b22-20+