tert-butyl (3R,4R)-3-azido-2-oxidanylidene-4-[5-(phenylmethoxycarbonylamino)pentyl]azetidine-1-carboxylate

Systemtic Name: tert-butyl (3R,4R)-3-azido-2-oxidanylidene-4-[5-(phenylmethoxycarbonylamino)pentyl]azetidine-1-carboxylate Openeye Name: tert-butyl (2R,3R)-3-azido-2-[5-(benzyloxycarbonylamino)pentyl]-4-oxo-azetidine-1-carboxylate CAS Name: (3R,4R)-3-azido-2-oxo-4-[5-(phenylmethoxycarbonylamino)pentyl]-1-azetidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3R,4R)-3-azido-2-oxo-4-[5-(phenylmethoxycarbonylamino)pentyl]azetidine-1-carboxylate Traditional Name: (2R,3R)-3-azido-2-[5-(benzyloxycarbonylamino)pentyl]-4-keto-azetidine-1-carboxylic acid tert-butyl ester Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C(C(C1=O)N=[N+]=[N-])CCCCCNC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N1[C@@H]([C@H](C1=O)N=[N+]=[N-])CCCCCNC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H29N5O5/c1-21(2,3)31-20(29)26-16(17(18(26)27)24-25-22)12-8-5-9-13-23-19(28)30-14-15-10-6-4-7-11-15/h4,6-7,10-11,16-17H,5,8-9,12-14H2,1-3H3,(H,23,28)/t16-,17-/m1/s1