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

Systemtic Name: pentyl 4-[(2S)-5-[(2-methylpropan-2-yl)oxy]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]piperazine-1-carboxylate Openeye Name: pentyl 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 pentyl ester IUPAC Name: pentyl 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 amyl ester Formula: C27H41N3O7 MolecularWeight: 519.63034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H41N3O7/c1-5-6-10-19-35-26(34)30-17-15-29(16-18-30)24(32)22(13-14-23(31)37-27(2,3)4)28-25(33)36-20-21-11-8-7-9-12-21/h7-9,11-12,22H,5-6,10,13-20H2,1-4H3,(H,28,33)/t22-/m0/s1