tert-butyl 4-[[(3S)-5-(4-hydroxyphenyl)-1-oxidanyl-2-oxidanylidene-pentan-3-yl]carbamoyl-(2-methylbutyl)carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[(3S)-5-(4-hydroxyphenyl)-1-oxidanyl-2-oxidanylidene-pentan-3-yl]carbamoyl-(2-methylbutyl)carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[(1S)-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-oxo-propyl]carbamoyl-(2-methylbutyl)carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[[[(3S)-1-hydroxy-5-(4-hydroxyphenyl)-2-oxopentan-3-yl]amino]-oxomethyl]-(2-methylbutyl)amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[(3S)-1-hydroxy-5-(4-hydroxyphenyl)-2-oxopentan-3-yl]carbamoyl-(2-methylbutyl)carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[(1S)-3-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]-2-keto-propyl]carbamoyl-(2-methylbutyl)carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H43N3O7 MolecularWeight: 533.65692

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CN(C(=O)C1CCN(CC1)C(=O)OC(C)(C)C)C(=O)NC(CCC2=CC=C(C=C2)O)C(=O)CO

Isomeric SMILES

CCC(C)CN(C(=O)C1CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](CCC2=CC=C(C=C2)O)C(=O)CO

InChI

InChI=1S/C28H43N3O7/c1-6-19(2)17-31(25(35)21-13-15-30(16-14-21)27(37)38-28(3,4)5)26(36)29-23(24(34)18-32)12-9-20-7-10-22(33)11-8-20/h7-8,10-11,19,21,23,32-33H,6,9,12-18H2,1-5H3,(H,29,36)/t19?,23-/m0/s1