2-[[2-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]ethanoyl 3-(2-azanylpyridin-3-yl)propanoate

Systemtic Name: 2-[[2-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]ethanoyl 3-(2-azanylpyridin-3-yl)propanoate Openeye Name: [2-[[2-(benzylcarbamoylamino)benzoyl]amino]acetyl] 3-(2-amino-3-pyridyl)propanoate CAS Name: 3-(2-amino-3-pyridinyl)propanoic acid [1-oxo-2-[[oxo-[2-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]methyl]amino]ethyl] ester IUPAC Name: [2-[[2-(benzylcarbamoylamino)benzoyl]amino]acetyl] 3-(2-aminopyridin-3-yl)propanoate Traditional Name: 3-(2-amino-3-pyridyl)propionic acid [2-[[2-(benzylcarbamoylamino)benzoyl]amino]acetyl] ester Formula: C25H25N5O5 MolecularWeight: 475.4965

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2C(=O)NCC(=O)OC(=O)CCC3=C(N=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC=C2C(=O)NCC(=O)OC(=O)CCC3=C(N=CC=C3)N

InChI

InChI=1S/C25H25N5O5/c26-23-18(9-6-14-27-23)12-13-21(31)35-22(32)16-28-24(33)19-10-4-5-11-20(19)30-25(34)29-15-17-7-2-1-3-8-17/h1-11,14H,12-13,15-16H2,(H2,26,27)(H,28,33)(H2,29,30,34)