phenacyl (2S)-1-[(2S)-2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: phenacyl (2S)-1-[(2S)-2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate Openeye Name: phenacyl (2S)-1-[(2S)-2-acetamido-3-(tert-butoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-acetamido-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]-2-pyrrolidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl (2S)-1-[(2S)-2-acetamido-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-acetamido-3-(tert-butoxycarbonylamino)propanoyl]pyrrolidine-2-carboxylic acid phenacyl ester Formula: C23H31N3O7 MolecularWeight: 461.50814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CNC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H31N3O7/c1-15(27)25-17(13-24-22(31)33-23(2,3)4)20(29)26-12-8-11-18(26)21(30)32-14-19(28)16-9-6-5-7-10-16/h5-7,9-10,17-18H,8,11-14H2,1-4H3,(H,24,31)(H,25,27)/t17-,18-/m0/s1