3-(1H-imidazol-5-yl)-2-[[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]methylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]methylamino]propanoic acid Openeye Name: 2-[[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]methylamino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]methylamino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]methylamino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]methylamino]-3-(1H-imidazol-5-yl)propionic acid Formula: C13H18N6O4 MolecularWeight: 322.31982

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=N1)CC(C(=O)O)NCNC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

C1=C(NC=N1)CC(C(=O)O)NCNC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C13H18N6O4/c20-12(21)10(1-8-3-14-5-16-8)18-7-19-11(13(22)23)2-9-4-15-6-17-9/h3-6,10-11,18-19H,1-2,7H2,(H,14,16)(H,15,17)(H,20,21)(H,22,23)