methyl (2S)-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-4-phenyl-butanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanylidene-4-phenyl-butanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[3-(tert-butoxycarbonylamino)-2-oxo-4-phenyl-butanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1,2-dioxo-4-phenylbutyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-4-phenylbutanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[3-(tert-butoxycarbonylamino)-2-keto-4-phenyl-butanoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)C(=O)N2CCCC2C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)C(=O)N2CCC[C@H]2C(=O)OC

InChI

InChI=1S/C21H28N2O6/c1-21(2,3)29-20(27)22-15(13-14-9-6-5-7-10-14)17(24)18(25)23-12-8-11-16(23)19(26)28-4/h5-7,9-10,15-16H,8,11-13H2,1-4H3,(H,22,27)/t15?,16-/m0/s1