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

Systemtic Name: (phenylmethyl) (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoyl]-5-prop-2-enyl-pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-5-allyl-1-[(2S)-2-(tert-butoxycarbonylamino)hex-5-enoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohex-5-enyl]-5-prop-2-enyl-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hex-5-enoyl]-5-prop-2-enylpyrrolidine-2-carboxylate Traditional Name: (2S)-5-allyl-1-[(2S)-2-(tert-butoxycarbonylamino)hex-5-enoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36N2O5/c1-6-8-15-21(27-25(31)33-26(3,4)5)23(29)28-20(12-7-2)16-17-22(28)24(30)32-18-19-13-10-9-11-14-19/h6-7,9-11,13-14,20-22H,1-2,8,12,15-18H2,3-5H3,(H,27,31)/t20?,21-,22-/m0/s1