tert-butyl 4-[3-[3,4-diacetyloxy-2-[2-(methylamino)ethanoyl]phenyl]-3-oxidanylidene-propyl]piperidine-1-carboxylate; 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid

Systemtic Name: tert-butyl 4-[3-[3,4-diacetyloxy-2-[2-(methylamino)ethanoyl]phenyl]-3-oxidanylidene-propyl]piperidine-1-carboxylate; 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid Openeye Name: 3-(1-tert-butoxycarbonyl-4-piperidyl)propanoic acid; tert-butyl 4-[3-[3,4-diacetoxy-2-[2-(methylamino)acetyl]phenyl]-3-oxo-propyl]piperidine-1-carboxylate CAS Name: 4-[3-[3,4-diacetyloxy-2-[2-(methylamino)-1-oxoethyl]phenyl]-3-oxopropyl]-1-piperidinecarboxylic acid tert-butyl ester; 3-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinyl]propanoic acid IUPAC Name: tert-butyl 4-[3-[3,4-diacetyloxy-2-[2-(methylamino)acetyl]phenyl]-3-oxopropyl]piperidine-1-carboxylate; 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid Traditional Name: 3-(1-tert-butoxycarbonyl-4-piperidyl)propionic acid; 4-[3-(3,4-diacetoxy-2-sarcosyl-phenyl)-3-keto-propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C39H59N3O12 MolecularWeight: 761.89866

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C(=C(C=C1)C(=O)CCC2CCN(CC2)C(=O)OC(C)(C)C)C(=O)CNC)OC(=O)C.CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)O

Isomeric SMILES

CC(=O)OC1=C(C(=C(C=C1)C(=O)CCC2CCN(CC2)C(=O)OC(C)(C)C)C(=O)CNC)OC(=O)C.CC(C)(C)OC(=O)N1CCC(CC1)CCC(=O)O

InChI

InChI=1S/C26H36N2O8.C13H23NO4/c1-16(29)34-22-10-8-19(23(21(32)15-27-6)24(22)35-17(2)30)20(31)9-7-18-11-13-28(14-12-18)25(33)36-26(3,4)5;1-13(2,3)18-12(17)14-8-6-10(7-9-14)4-5-11(15)16/h8,10,18,27H,7,9,11-15H2,1-6H3;10H,4-9H2,1-3H3,(H,15,16)