2-[[2-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]ethanoyl 5-azanylpent-4-ynoate

Systemtic Name: 2-[[2-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]ethanoyl 5-azanylpent-4-ynoate Openeye Name: [2-[[2-(benzylcarbamoylamino)benzoyl]amino]acetyl] 5-aminopent-4-ynoate CAS Name: 5-amino-4-pentynoic acid [1-oxo-2-[[oxo-[2-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]methyl]amino]ethyl] ester IUPAC Name: [2-[[2-(benzylcarbamoylamino)benzoyl]amino]acetyl] 5-aminopent-4-ynoate Traditional Name: 5-aminopent-4-ynoic acid [2-[[2-(benzylcarbamoylamino)benzoyl]amino]acetyl] ester Formula: C22H22N4O5 MolecularWeight: 422.43388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2C(=O)NCC(=O)OC(=O)CCC#CN

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2C(=O)NCC(=O)OC(=O)CCC#CN

InChI

InChI=1S/C22H22N4O5/c23-13-7-6-12-19(27)31-20(28)15-24-21(29)17-10-4-5-11-18(17)26-22(30)25-14-16-8-2-1-3-9-16/h1-5,8-11H,6,12,14-15,23H2,(H,24,29)(H2,25,26,30)