5-azanyl-2-[2-[[2-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]ethanoyl]pent-4-ynoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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