3-[2-[[3-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]ethanoylamino]pent-4-ynoic acid

Systemtic Name: 3-[2-[[3-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]ethanoylamino]pent-4-ynoic acid Openeye Name: 3-[[2-[[3-(benzylcarbamoylamino)benzoyl]amino]acetyl]amino]pent-4-ynoic acid CAS Name: 3-[[1-oxo-2-[[oxo-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]methyl]amino]ethyl]amino]-4-pentynoic acid IUPAC Name: 3-[[2-[[3-(benzylcarbamoylamino)benzoyl]amino]acetyl]amino]pent-4-ynoic acid Traditional Name: 3-[[2-[[3-(benzylcarbamoylamino)benzoyl]amino]acetyl]amino]pent-4-ynoic acid Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC(=O)O)NC(=O)CNC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

C#CC(CC(=O)O)NC(=O)CNC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C22H22N4O5/c1-2-17(12-20(28)29)25-19(27)14-23-21(30)16-9-6-10-18(11-16)26-22(31)24-13-15-7-4-3-5-8-15/h1,3-11,17H,12-14H2,(H,23,30)(H,25,27)(H,28,29)(H2,24,26,31)