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

Systemtic Name: butyl 4-[(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]piperazine-1-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C26H39N3O7 MolecularWeight: 505.60376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39N3O7/c1-5-6-18-34-25(33)29-16-14-28(15-17-29)23(31)21(12-13-22(30)36-26(2,3)4)27-24(32)35-19-20-10-8-7-9-11-20/h7-11,21H,5-6,12-19H2,1-4H3,(H,27,32)/t21-/m0/s1