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

Systemtic Name: tert-butyl N-[N'-[3-[4-[[1-[2,4-bis(chloranyl)-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidin-2-yl]carbonylamino]piperidin-1-yl]-3-oxidanylidene-propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Openeye Name: tert-butyl N-[N-tert-butoxycarbonyl-N'-[3-[4-[[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]amino]-1-piperidyl]-3-oxo-propyl]carbamimidoyl]carbamate CAS Name: N-[[3-[4-[[[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolinyl)oxymethyl]phenyl]sulfonyl-2-pyrrolidinyl]-oxomethyl]amino]-1-piperidinyl]-3-oxopropyl]imino-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[N'-[3-[4-[[1-[2,4-dichloro-3-[(2,4-dimethylquinolin-8-yl)oxymethyl]phenyl]sulfonylpyrrolidine-2-carbonyl]amino]piperidin-1-yl]-3-oxopropyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate Traditional Name: N-[N-tert-butoxycarbonyl-N'-[3-[4-[[1-[2,4-dichloro-3-[(2,4-dimethyl-8-quinolyl)oxymethyl]phenyl]sulfonylprolyl]amino]piperidino]-3-keto-propyl]amidino]carbamic acid tert-butyl ester Formula: C42H55Cl2N7O9S MolecularWeight: 904.8986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NC5CCN(CC5)C(=O)CCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Cl)C

Isomeric SMILES

CC1=CC(=NC2=C1C=CC=C2OCC3=C(C=CC(=C3Cl)S(=O)(=O)N4CCCC4C(=O)NC5CCN(CC5)C(=O)CCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)Cl)C

InChI

InChI=1S/C42H55Cl2N7O9S/c1-25-23-26(2)46-36-28(25)11-9-13-32(36)58-24-29-30(43)14-15-33(35(29)44)61(56,57)51-20-10-12-31(51)37(53)47-27-17-21-50(22-18-27)34(52)16-19-45-38(48-39(54)59-41(3,4)5)49-40(55)60-42(6,7)8/h9,11,13-15,23,27,31H,10,12,16-22,24H2,1-8H3,(H,47,53)(H2,45,48,49,54,55)