(phenylmethyl) (2S)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-5-oxidanylidene-pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-5-oxidanylidene-pyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-5-oxo-pyrrolidine-2-carboxylate CAS Name: (2S)-1-[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-5-oxo-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-5-oxopyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-5-keto-pyrrolidine-2-carboxylic acid benzyl ester Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C(CCC1=O)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N1[C@@H](CCC1=O)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H30N2O6/c1-14(2)18(23-21(28)30-22(3,4)5)19(26)24-16(11-12-17(24)25)20(27)29-13-15-9-7-6-8-10-15/h6-10,14,16,18H,11-13H2,1-5H3,(H,23,28)/t16-,18-/m0/s1