tert-butyl 4-[3-[[2-[[2-[(2-acetamido-4-methyl-1,3-thiazol-5-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-[(2-acetamido-4-methyl-1,3-thiazol-5-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-[3-[[2-[[2-[(2-acetamido-4-methyl-thiazol-5-yl)sulfonylamino]-3-ethoxy-3-oxo-propyl]amino]-2-oxo-ethyl]carbamoyl]-5-(1-tert-butoxycarbonyl-4-piperidyl)pentyl]piperidine-1-carboxylate CAS Name: 4-[3-[[[2-[[2-[(2-acetamido-4-methyl-5-thiazolyl)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-[(2-acetamido-4-methyl-1,3-thiazol-5-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-[3-[[2-[[2-[(2-acetamido-4-methyl-thiazol-5-yl)sulfonylamino]-3-ethoxy-3-keto-propyl]amino]-2-keto-ethyl]carbamoyl]-5-(1-tert-butoxycarbonyl-4-piperidyl)pentyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C39H65N7O11S2 MolecularWeight: 872.1037

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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(N=C(S3)NC(=O)C)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(N=C(S3)NC(=O)C)C

InChI

InChI=1S/C39H65N7O11S2/c1-10-55-33(50)30(44-59(53,54)34-25(2)42-35(58-34)43-26(3)47)23-40-31(48)24-41-32(49)29(13-11-27-15-19-45(20-16-27)36(51)56-38(4,5)6)14-12-28-17-21-46(22-18-28)37(52)57-39(7,8)9/h27-30,44H,10-24H2,1-9H3,(H,40,48)(H,41,49)(H,42,43,47)