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4H4 : Summary
Code ![](/pdbe/static/images/help.png)
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4H4
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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4-amino-N-[(1S,2R)-2-(4-sulfamoylphenyl)cyclopropyl]-1,2,5-oxadiazole-3-carboxamide
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C12 H13 N5 O4 S
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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323.328 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
c1c(ccc(c1)S(N)(=O)=O)C2CC2NC(c3c(N)non3)=O |
SMILES
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CACTVS |
3.385 |
Nc1nonc1C(=O)N[CH]2C[CH]2c3ccc(cc3)[S](N)(=O)=O |
SMILES
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OpenEye OEToolkits |
1.9.2 |
c1cc(ccc1C2CC2NC(=O)c3c(non3)N)S(=O)(=O)N |
Canonical SMILES
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CACTVS |
3.385 |
Nc1nonc1C(=O)N[C@H]2C[C@@H]2c3ccc(cc3)[S](N)(=O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
c1cc(ccc1[C@H]2C[C@@H]2NC(=O)c3c(non3)N)S(=O)(=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C12H13N5O4S/c13-11-10(16-21-17-11)12(18)15-9-5-8(9)6-1-3-7(4-2-6)22(14,19)20/h1-4,8-9H,5H2,(H2,13,17)(H,15,18)(H2,14,19,20)/t8-,9+/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ZXELRJOXFOOICP-BDAKNGLRSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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35 (22 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2015-03-18
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Last modified at ![](/pdbe/static/images/help.png)
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2016-03-11
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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