hexyl 4-[(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]piperazine-1-carboxylate

Systemtic Name: hexyl 4-[(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]piperazine-1-carboxylate Openeye Name: hexyl 4-[(2S)-2-(benzyloxycarbonylamino)-5-tert-butoxy-5-oxo-pentanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-5-[(2-methylpropan-2-yl)oxy]-1,5-dioxo-2-(phenylmethoxycarbonylamino)pentyl]-1-piperazinecarboxylic acid hexyl ester IUPAC Name: hexyl 4-[(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-(benzyloxycarbonylamino)-5-tert-butoxy-5-keto-pentanoyl]piperazine-1-carboxylic acid hexyl ester Formula: C28H43N3O7 MolecularWeight: 533.65692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)N1CCN(CC1)C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCOC(=O)N1CCN(CC1)C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C28H43N3O7/c1-5-6-7-11-20-36-27(35)31-18-16-30(17-19-31)25(33)23(14-15-24(32)38-28(2,3)4)29-26(34)37-21-22-12-9-8-10-13-22/h8-10,12-13,23H,5-7,11,14-21H2,1-4H3,(H,29,34)/t23-/m0/s1