3-[2-[[3-(diazanylmethylideneamino)phenyl]carbonylamino]ethanoylamino]-3-quinolin-3-yl-propanoic acid

Systemtic Name: 3-[2-[[3-(diazanylmethylideneamino)phenyl]carbonylamino]ethanoylamino]-3-quinolin-3-yl-propanoic acid Openeye Name: 3-[[2-[[3-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]-3-(3-quinolyl)propanoic acid CAS Name: 3-[[2-[[[3-(hydrazinylmethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-quinolinyl)propanoic acid IUPAC Name: 3-[[2-[[3-(hydrazinylmethylideneamino)benzoyl]amino]acetyl]amino]-3-quinolin-3-ylpropanoic acid Traditional Name: 3-[[2-[[3-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]-3-(3-quinolyl)propionic acid Formula: C22H22N6O4 MolecularWeight: 434.44788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=N2)C(CC(=O)O)NC(=O)CNC(=O)C3=CC(=CC=C3)N=CNN

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=N2)C(CC(=O)O)NC(=O)CNC(=O)C3=CC(=CC=C3)N=CNN

InChI

InChI=1S/C22H22N6O4/c23-27-13-26-17-6-3-5-15(9-17)22(32)25-12-20(29)28-19(10-21(30)31)16-8-14-4-1-2-7-18(14)24-11-16/h1-9,11,13,19H,10,12,23H2,(H,25,32)(H,26,27)(H,28,29)(H,30,31)