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

Systemtic Name: 2-[2-[[3-(diazanylmethylideneamino)phenyl]carbonylamino]ethanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 2-[[2-[[3-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propanoic acid CAS Name: 2-[[2-[[[3-(hydrazinylmethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 2-[[2-[[3-(hydrazinylmethylideneamino)benzoyl]amino]acetyl]amino]-3-pyridin-3-ylpropanoic acid Traditional Name: 2-[[2-[[3-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]-3-(3-pyridyl)propionic acid Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N=CNN)C(=O)NCC(=O)NC(CC2=CN=CC=C2)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N=CNN)C(=O)NCC(=O)NC(CC2=CN=CC=C2)C(=O)O

InChI

InChI=1S/C18H20N6O4/c19-23-11-22-14-5-1-4-13(8-14)17(26)21-10-16(25)24-15(18(27)28)7-12-3-2-6-20-9-12/h1-6,8-9,11,15H,7,10,19H2,(H,21,26)(H,22,23)(H,24,25)(H,27,28)