tert-butyl 4-[3-[[2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-ethoxy-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]carbamoyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pentyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[[2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-ethoxy-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]carbamoyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pentyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-(1-tert-butoxycarbonyl-4-piperidyl)-3-[[2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-ethoxy-3-oxo-propyl]amino]-2-oxo-ethyl]carbamoyl]pentyl]piperidine-1-carboxylate CAS Name: 4-[3-[[[2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-ethoxy-3-oxopropyl]amino]-2-oxoethyl]amino]-oxomethyl]-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]pentyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[[2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-ethoxy-3-oxopropyl]amino]-2-oxoethyl]carbamoyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pentyl]piperidine-1-carboxylate Traditional Name: 4-[5-(1-tert-butoxycarbonyl-4-piperidyl)-3-[[2-[[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-3-ethoxy-3-keto-propyl]amino]-2-keto-ethyl]carbamoyl]pentyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C38H65N7O10S MolecularWeight: 812.0286

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CNC(=O)CNC(=O)C(CCC1CCN(CC1)C(=O)OC(C)(C)C)CCC2CCN(CC2)C(=O)OC(C)(C)C)NS(=O)(=O)C3=C(NN=C3C)C

Isomeric SMILES

CCOC(=O)C(CNC(=O)CNC(=O)C(CCC1CCN(CC1)C(=O)OC(C)(C)C)CCC2CCN(CC2)C(=O)OC(C)(C)C)NS(=O)(=O)C3=C(NN=C3C)C

InChI

InChI=1S/C38H65N7O10S/c1-10-53-34(48)30(43-56(51,52)32-25(2)41-42-26(32)3)23-39-31(46)24-40-33(47)29(13-11-27-15-19-44(20-16-27)35(49)54-37(4,5)6)14-12-28-17-21-45(22-18-28)36(50)55-38(7,8)9/h27-30,43H,10-24H2,1-9H3,(H,39,46)(H,40,47)(H,41,42)