methyl 5-tert-butyl-1-(2-methylpropyl)-2-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]pyrrole-3-carboxylate

Systemtic Name: methyl 5-tert-butyl-1-(2-methylpropyl)-2-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]pyrrole-3-carboxylate Openeye Name: methyl 2-[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propyl]-5-tert-butyl-1-isobutyl-pyrrole-3-carboxylate CAS Name: 5-tert-butyl-1-(2-methylpropyl)-2-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]-3-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 5-tert-butyl-1-(2-methylpropyl)-2-[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]pyrrole-3-carboxylate Traditional Name: 2-[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propyl]-5-tert-butyl-1-isobutyl-pyrrole-3-carboxylic acid methyl ester Formula: C31H40N2O4 MolecularWeight: 504.6603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=CC(=C1CC(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)OC)C(C)(C)C

Isomeric SMILES

CC(C)CN1C(=CC(=C1C[C@H](CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)C(=O)OC)C(C)(C)C

InChI

InChI=1S/C31H40N2O4/c1-22(2)20-33-27(26(29(34)36-6)19-28(33)31(3,4)5)18-25(17-23-13-9-7-10-14-23)32-30(35)37-21-24-15-11-8-12-16-24/h7-16,19,22,25H,17-18,20-21H2,1-6H3,(H,32,35)/t25-/m0/s1