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3C7 : Summary
Code ![](/pdbe/static/images/help.png)
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3C7
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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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(3R,5R,7aS)-5-(sulfanylmethyl)tetrahydro[1,3]thiazolo[4,3-b][1,3]thiazole-3-carboxylic acid
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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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C7 H11 N O2 S3
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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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237.363 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 |
O=C(O)C1N2C(SCC2SC1)CS |
SMILES
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CACTVS |
3.385 |
OC(=O)[CH]1CS[CH]2CS[CH](CS)N12 |
SMILES
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OpenEye OEToolkits |
1.9.2 |
C1C(N2C(S1)CSC2CS)C(=O)O |
Canonical SMILES
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CACTVS |
3.385 |
OC(=O)[C@@H]1CS[C@H]2CS[C@H](CS)N12 |
Canonical SMILES
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OpenEye OEToolkits |
1.9.2 |
C1[C@H](N2[C@@H](S1)CS[C@@H]2CS)C(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H11NO2S3/c9-7(10)4-2-12-6-3-13-5(1-11)8(4)6/h4-6,11H,1-3H2,(H,9,10)/t4-,5+,6-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | ZTWVMVSSSBGFHH-JKUQZMGJSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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24 (13 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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2014-07-25
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Last modified at ![](/pdbe/static/images/help.png)
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2014-09-05
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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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