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

Systemtic Name: 3-[2-[[3-[(phenylmethyl)carbamoylamino]phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[[3-(benzylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[1-oxo-2-[[oxo-[3-[[oxo-[(phenylmethyl)amino]methyl]amino]phenyl]methyl]amino]ethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[[3-(benzylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[[3-(benzylcarbamoylamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propionic acid 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(=C2)C(=O)NCC(=O)NC(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

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

InChI

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