3-[[7-[[bis(azanyl)methylideneamino]methyl]-4-oxidanylidene-quinolizin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[[7-[[bis(azanyl)methylideneamino]methyl]-4-oxidanylidene-quinolizin-2-yl]carbonylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[7-(guanidinomethyl)-4-oxo-quinolizine-2-carbonyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[[7-[(diaminomethylideneamino)methyl]-4-oxo-2-quinolizinyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[7-[(diaminomethylideneamino)methyl]-4-oxoquinolizine-2-carbonyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[7-(guanidinomethyl)-4-keto-quinolizine-2-carbonyl]amino]-3-(3-pyridyl)propionic acid Formula: C20H20N6O4 MolecularWeight: 408.4106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)C2=CC(=O)N3C=C(C=CC3=C2)CN=C(N)N

Isomeric SMILES

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)C2=CC(=O)N3C=C(C=CC3=C2)CN=C(N)N

InChI

InChI=1S/C20H20N6O4/c21-20(22)24-9-12-3-4-15-6-14(7-17(27)26(15)11-12)19(30)25-16(8-18(28)29)13-2-1-5-23-10-13/h1-7,10-11,16H,8-9H2,(H,25,30)(H,28,29)(H4,21,22,24)