3-[2-[[3-(diazanylmethylideneamino)phenyl]carbonylamino]ethanoylamino]-3-pyrimidin-5-yl-propanoic acid

Systemtic Name: 3-[2-[[3-(diazanylmethylideneamino)phenyl]carbonylamino]ethanoylamino]-3-pyrimidin-5-yl-propanoic acid Openeye Name: 3-[[2-[[3-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]-3-pyrimidin-5-yl-propanoic acid CAS Name: 3-[[2-[[[3-(hydrazinylmethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl]amino]-3-(5-pyrimidinyl)propanoic acid IUPAC Name: 3-[[2-[[3-(hydrazinylmethylideneamino)benzoyl]amino]acetyl]amino]-3-pyrimidin-5-ylpropanoic acid Traditional Name: 3-[[2-[[3-(hydrazinomethyleneamino)benzoyl]amino]acetyl]amino]-3-(5-pyrimidyl)propionic acid Formula: C17H19N7O4 MolecularWeight: 385.37726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N7O4/c18-23-10-22-13-3-1-2-11(4-13)17(28)21-8-15(25)24-14(5-16(26)27)12-6-19-9-20-7-12/h1-4,6-7,9-10,14H,5,8,18H2,(H,21,28)(H,22,23)(H,24,25)(H,26,27)