tert-butyl (2S)-4-(4-methoxyphenyl)-5-oxidanyl-3-oxidanylidene-2-[4-(phenylmethoxycarbonylamino)butyl]-2H-pyrrole-1-carboxylate

Systemtic Name: tert-butyl (2S)-4-(4-methoxyphenyl)-5-oxidanyl-3-oxidanylidene-2-[4-(phenylmethoxycarbonylamino)butyl]-2H-pyrrole-1-carboxylate Openeye Name: tert-butyl (2S)-2-[4-(benzyloxycarbonylamino)butyl]-5-hydroxy-4-(4-methoxyphenyl)-3-oxo-2H-pyrrole-1-carboxylate CAS Name: (2S)-5-hydroxy-4-(4-methoxyphenyl)-3-oxo-2-[4-(phenylmethoxycarbonylamino)butyl]-2H-pyrrole-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-5-hydroxy-4-(4-methoxyphenyl)-3-oxo-2-[4-(phenylmethoxycarbonylamino)butyl]-2H-pyrrole-1-carboxylate Traditional Name: (2S)-2-[4-(benzyloxycarbonylamino)butyl]-5-hydroxy-3-keto-4-(4-methoxyphenyl)-2-pyrroline-1-carboxylic acid tert-butyl ester Formula: C28H34N2O7 MolecularWeight: 510.57876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C(=O)C(=C1O)C2=CC=C(C=C2)OC)CCCCNC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@H](C(=O)C(=C1O)C2=CC=C(C=C2)OC)CCCCNC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H34N2O7/c1-28(2,3)37-27(34)30-22(24(31)23(25(30)32)20-13-15-21(35-4)16-14-20)12-8-9-17-29-26(33)36-18-19-10-6-5-7-11-19/h5-7,10-11,13-16,22,32H,8-9,12,17-18H2,1-4H3,(H,29,33)/t22-/m0/s1