methyl (2S)-3-(4-azidophenyl)-2-(2-bromanylethanoylamino)propanoate

Systemtic Name: methyl (2S)-3-(4-azidophenyl)-2-(2-bromanylethanoylamino)propanoate Openeye Name: methyl (2S)-3-(4-azidophenyl)-2-[(2-bromoacetyl)amino]propanoate CAS Name: (2S)-3-(4-azidophenyl)-2-[(2-bromo-1-oxoethyl)amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-azidophenyl)-2-[(2-bromoacetyl)amino]propanoate Traditional Name: (2S)-3-(4-azidophenyl)-2-[(2-bromoacetyl)amino]propionic acid methyl ester Formula: C12H13BrN4O3 MolecularWeight: 341.16062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)N=[N+]=[N-])NC(=O)CBr

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)N=[N+]=[N-])NC(=O)CBr

InChI

InChI=1S/C12H13BrN4O3/c1-20-12(19)10(15-11(18)7-13)6-8-2-4-9(5-3-8)16-17-14/h2-5,10H,6-7H2,1H3,(H,15,18)/t10-/m0/s1