3-[2-[6-(diazanylmethylideneamino)hexanoylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[6-(diazanylmethylideneamino)hexanoylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[[2-[6-(hydrazinomethyleneamino)hexanoylamino]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[6-(hydrazinylmethylideneamino)-1-oxohexyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[[2-[6-(hydrazinylmethylideneamino)hexanoylamino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-[6-(hydrazinomethyleneamino)hexanoylamino]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C17H26N6O4 MolecularWeight: 378.42614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)CNC(=O)CCCCCN=CNN

Isomeric SMILES

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)CNC(=O)CCCCCN=CNN

InChI

InChI=1S/C17H26N6O4/c18-22-12-20-7-3-1-2-6-15(24)21-11-16(25)23-14(9-17(26)27)13-5-4-8-19-10-13/h4-5,8,10,12,14H,1-3,6-7,9,11,18H2,(H,20,22)(H,21,24)(H,23,25)(H,26,27)