tert-butyl 4-[3-[[2-[[1-(1,3-benzodioxol-5-yl)-3-ethoxy-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]carbamoyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pentyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[[2-[[1-(1,3-benzodioxol-5-yl)-3-ethoxy-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]carbamoyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pentyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[[2-[[1-(1,3-benzodioxol-5-yl)-3-ethoxy-3-oxo-propyl]amino]-2-oxo-ethyl]carbamoyl]-5-(1-tert-butoxycarbonylpyrrolidin-3-yl)pentyl]piperidine-1-carboxylate CAS Name: 4-[3-[[[2-[[1-(1,3-benzodioxol-5-yl)-3-ethoxy-3-oxopropyl]amino]-2-oxoethyl]amino]-oxomethyl]-5-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-pyrrolidinyl]pentyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[[2-[[1-(1,3-benzodioxol-5-yl)-3-ethoxy-3-oxopropyl]amino]-2-oxoethyl]carbamoyl]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pentyl]piperidine-1-carboxylate Traditional Name: 4-[3-[[2-[[1-(1,3-benzodioxol-5-yl)-3-ethoxy-3-keto-propyl]amino]-2-keto-ethyl]carbamoyl]-5-(1-tert-butoxycarbonylpyrrolidin-3-yl)pentyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C39H60N4O10 MolecularWeight: 744.9145

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC2=C(C=C1)OCO2)NC(=O)CNC(=O)C(CCC3CCN(CC3)C(=O)OC(C)(C)C)CCC4CCN(C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CC(C1=CC2=C(C=C1)OCO2)NC(=O)CNC(=O)C(CCC3CCN(CC3)C(=O)OC(C)(C)C)CCC4CCN(C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C39H60N4O10/c1-8-49-34(45)22-30(29-13-14-31-32(21-29)51-25-50-31)41-33(44)23-40-35(46)28(12-10-27-17-20-43(24-27)37(48)53-39(5,6)7)11-9-26-15-18-42(19-16-26)36(47)52-38(2,3)4/h13-14,21,26-28,30H,8-12,15-20,22-25H2,1-7H3,(H,40,46)(H,41,44)