2-[2-[[3-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC(=C2)C(=O)NCC(=O)NC(CC3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC2=CC=CC(=C2)C(=O)NCC(=O)NC(CC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C25H25N5O5/c31-22(30-21(24(33)34)12-18-8-5-11-26-14-18)16-27-23(32)19-9-4-10-20(13-19)29-25(35)28-15-17-6-2-1-3-7-17/h1-11,13-14,21H,12,15-16H2,(H,27,32)(H,30,31)(H,33,34)(H2,28,29,35)