3-phenyl-3-[[5-(pyridin-2-ylamino)pentanoylamino]carbamoylamino]propanoic acid

Systemtic Name: 3-phenyl-3-[[5-(pyridin-2-ylamino)pentanoylamino]carbamoylamino]propanoic acid Openeye Name: 3-phenyl-3-[[5-(2-pyridylamino)pentanoylamino]carbamoylamino]propanoic acid CAS Name: 3-[[oxo-[[1-oxo-5-(2-pyridinylamino)pentyl]hydrazo]methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-phenyl-3-[[5-(pyridin-2-ylamino)pentanoylamino]carbamoylamino]propanoic acid Traditional Name: 3-phenyl-3-[[5-(2-pyridylamino)pentanoylamino]carbamoylamino]propionic acid Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)NNC(=O)CCCCNC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)NNC(=O)CCCCNC2=CC=CC=N2

InChI

InChI=1S/C20H25N5O4/c26-18(11-5-7-13-22-17-10-4-6-12-21-17)24-25-20(29)23-16(14-19(27)28)15-8-2-1-3-9-15/h1-4,6,8-10,12,16H,5,7,11,13-14H2,(H,21,22)(H,24,26)(H,27,28)(H2,23,25,29)