I4O
Histidine oxo-vanadium complex
Created: | 2022-02-11 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | -3 |
Atom Count | 24 |
Chiral Atom Count | 1 |
Bond Count | 24 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
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Name | Histidine oxo-vanadium complex |
Synonyms | [4-[(2S)-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]-tris(oxidanidyl)-oxidanylidene-vanadium |
Systematic Name (OpenEye OEToolkits) | [4-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]imidazol-1-yl]-tris(oxidanidyl)-oxidanylidene-vanadium |
Formula | C6 H8 N3 O6 V |
Molecular Weight | 269.086 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | N[CH](Cc1cn(cn1)[V]([O-])([O-])([O-])=O)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c(ncn1[V](=O)([O-])([O-])[O-])CC(C(=O)O)N |
Canonical SMILES | CACTVS | 3.385 | N[C@@H](Cc1cn(cn1)[V]([O-])([O-])([O-])=O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1c(ncn1[V](=O)([O-])([O-])[O-])C[C@@H](C(=O)O)N |
InChI | InChI | 1.06 | InChI=1S/C6H9N3O2.4O.V/c7-5(6(10)11)1-4-2-8-3-9-4;;;;;/h2-3,5H,1,7H2,(H2,8,9,10,11);;;;;/q;;3*-1;+1/p-1/t5-;;;;;/m0...../s1 |
InChIKey | InChI | 1.06 | MEHUMAARUKETGW-HNJBGNBTSA-M |