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

Systemtic Name: (phenylmethyl) (2S)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-oxidanylidene-azetidine-2-carboxylate Openeye Name: benzyl (2S)-1-[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-4-oxo-azetidine-2-carboxylate CAS Name: (2S)-1-[(2S)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-4-oxo-2-azetidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-oxoazetidine-2-carboxylate Traditional Name: (2S)-1-[(2S)-2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]-4-keto-azetidine-2-carboxylic acid benzyl ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1C(CC1=O)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N1[C@@H](CC1=O)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H28N2O6/c1-13(2)17(22-20(27)29-21(3,4)5)18(25)23-15(11-16(23)24)19(26)28-12-14-9-7-6-8-10-14/h6-10,13,15,17H,11-12H2,1-5H3,(H,22,27)/t15-,17-/m0/s1