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AZR : Summary
Code
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AZR
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One-letter code
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X
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Molecule name
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2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S,3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid
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Systematic names
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Formula
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C13 H19 N5 O8 S2
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Formal charge
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0
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Molecular weight
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437.449 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=S(=O)(O)NC(C)C(C=O)NC(=O)C(=N\OC(C(=O)O)(C)C)/c1nc(sc1)N |
SMILES
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CACTVS |
3.370 |
C[CH](N[S](O)(=O)=O)[CH](NC(=O)C(=NOC(C)(C)C(O)=O)c1csc(N)n1)C=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
CC(C(C=O)NC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)NS(=O)(=O)O |
Canonical SMILES
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CACTVS |
3.370 |
C[C@H](N[S](O)(=O)=O)[C@H](NC(=O)\C(=N/OC(C)(C)C(O)=O)c1csc(N)n1)C=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C[C@@H]([C@@H](C=O)NC(=O)/C(=N\OC(C)(C)C(=O)O)/c1csc(n1)N)NS(=O)(=O)O |
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IUPAC InChI | InChI=1S/C13H19N5O8S2/c1-6(18-28(23,24)25)7(4-19)15-10(20)9(8-5-27-12(14)16-8)17-26-13(2,3)11(21)22/h4-7,18H,1-3H3,(H2,14,16)(H,15,20)(H,21,22)(H,23,24,25)/b17-9-/t6-,7+/m0/s1 |
IUPAC InChI key | OEVQTUTXOVDNJO-GEEOIBTQSA-N |
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wwPDB Information |
Atom count
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47 (28 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAD
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2000-09-12
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Last modified at
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2021-03-13
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Status
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Released
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Obsoleted
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Not Assigned
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