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

Systemtic Name: 2-[2-[[3-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]ethanoylamino]pent-4-ynoic acid Openeye Name: 2-[[2-[[3-(benzylcarbamoylamino)benzoyl]amino]acetyl]amino]pent-4-ynoic acid CAS Name: 2-[[1-oxo-2-[[oxo-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]methyl]amino]ethyl]amino]-4-pentynoic acid IUPAC Name: 2-[[2-[[3-(benzylcarbamoylamino)benzoyl]amino]acetyl]amino]pent-4-ynoic acid Traditional Name: 2-[[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#CCC(C(=O)O)NC(=O)CNC(=O)C1=CC(=CC=C1)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

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

InChI

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