(phenylmethyl) (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoyl]-5-prop-2-enyl-pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoyl]-5-prop-2-enyl-pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-5-allyl-1-[(2S)-2-(tert-butoxycarbonylamino)pent-4-enoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopent-4-enyl]-5-prop-2-enyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoyl]-5-prop-2-enylpyrrolidine-2-carboxylate Traditional Name: (2S)-5-allyl-1-[(2S)-2-(tert-butoxycarbonylamino)pent-4-enoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C25H34N2O5 MolecularWeight: 442.54786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC=C)C(=O)N1C(CCC1C(=O)OCC2=CC=CC=C2)CC=C

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC=C)C(=O)N1[C@@H](CCC1CC=C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H34N2O5/c1-6-11-19-15-16-21(23(29)31-17-18-13-9-8-10-14-18)27(19)22(28)20(12-7-2)26-24(30)32-25(3,4)5/h6-10,13-14,19-21H,1-2,11-12,15-17H2,3-5H3,(H,26,30)/t19?,20-,21-/m0/s1