(phenylmethyl) (2S)-2-[(2-azidophenyl)methyl-[(E)-but-2-enoyl]amino]propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[(2-azidophenyl)methyl-[(E)-but-2-enoyl]amino]propanoate Openeye Name: benzyl (2S)-2-[(2-azidophenyl)methyl-[(E)-but-2-enoyl]amino]propanoate CAS Name: (2S)-2-[(2-azidophenyl)methyl-[(E)-1-oxobut-2-enyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(2-azidophenyl)methyl-[(E)-but-2-enoyl]amino]propanoate Traditional Name: (2S)-2-[(2-azidobenzyl)-[(E)-but-2-enoyl]amino]propionic acid benzyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)N(CC1=CC=CC=C1N=[N+]=[N-])C(C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C/C=C/C(=O)N(CC1=CC=CC=C1N=[N+]=[N-])[C@@H](C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22N4O3/c1-3-9-20(26)25(14-18-12-7-8-13-19(18)23-24-22)16(2)21(27)28-15-17-10-5-4-6-11-17/h3-13,16H,14-15H2,1-2H3/b9-3+/t16-/m0/s1