3-[3-[4-(diazanylmethylideneamino)butanoylamino]propanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[3-[4-(diazanylmethylideneamino)butanoylamino]propanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[3-[4-(hydrazinomethyleneamino)butanoylamino]propanoylamino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[[4-(hydrazinylmethylideneamino)-1-oxobutyl]amino]-1-oxopropyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[3-[4-(hydrazinylmethylideneamino)butanoylamino]propanoylamino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[3-[4-(hydrazinomethyleneamino)butanoylamino]propanoylamino]-3-(3-pyridyl)propionic acid Formula: C16H24N6O4 MolecularWeight: 364.39956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)CCNC(=O)CCCN=CNN

Isomeric SMILES

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)CCNC(=O)CCCN=CNN

InChI

InChI=1S/C16H24N6O4/c17-21-11-19-7-2-4-14(23)20-8-5-15(24)22-13(9-16(25)26)12-3-1-6-18-10-12/h1,3,6,10-11,13H,2,4-5,7-9,17H2,(H,19,21)(H,20,23)(H,22,24)(H,25,26)