tert-butyl N-[N'-[4-[[1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]butyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate

Systemtic Name: tert-butyl N-[N'-[4-[[1-[2,4-bis(chloranyl)-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]butyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Openeye Name: tert-butyl N-[N-tert-butoxycarbonyl-N'-[4-[[1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]amino]butyl]carbamimidoyl]carbamate CAS Name: N-[4-[[[1-[2,4-dichloro-3-[(2-methyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]butylimino-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[N'-[4-[[1-[2,4-dichloro-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]amino]butyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Traditional Name: N-[N-tert-butoxycarbonyl-N'-[4-[[1-[2,4-dichloro-3-[(2-methyl-8-quinolyl)oxymethyl]phenyl]sulfonylprolyl]amino]butyl]amidino]carbamic acid tert-butyl ester Formula: C37H48Cl2N6O8S MolecularWeight: 807.78342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NCCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Cl)C=C1

Isomeric SMILES

CC1=NC2=C(C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NCCCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Cl)C=C1

InChI

InChI=1S/C37H48Cl2N6O8S/c1-23-15-16-24-12-10-14-28(31(24)42-23)51-22-25-26(38)17-18-29(30(25)39)54(49,50)45-21-11-13-27(45)32(46)40-19-8-9-20-41-33(43-34(47)52-36(2,3)4)44-35(48)53-37(5,6)7/h10,12,14-18,27H,8-9,11,13,19-22H2,1-7H3,(H,40,46)(H2,41,43,44,47,48)