tert-butyl 4-[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-3-(4-hydroxyphenyl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-2-(benzyloxycarbonylamino)-3-(4-hydroxyphenyl)propanoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C26H33N3O6 MolecularWeight: 483.55672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H33N3O6/c1-26(2,3)35-25(33)29-15-13-28(14-16-29)23(31)22(17-19-9-11-21(30)12-10-19)27-24(32)34-18-20-7-5-4-6-8-20/h4-12,22,30H,13-18H2,1-3H3,(H,27,32)/t22-/m0/s1