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LM0 : Summary
Code ![](/pdbe/static/images/help.png)
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LM0
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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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(3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
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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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C14 H17 N3 O3
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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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275.303 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 |
CC(=O)NNC(=O)C1Cc2ccccc2CN1C(C)=O |
SMILES
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CACTVS |
3.385 |
CC(=O)NNC(=O)[CH]1Cc2ccccc2CN1C(C)=O |
SMILES
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OpenEye OEToolkits |
2.0.7 |
CC(=O)NNC(=O)C1Cc2ccccc2CN1C(=O)C |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.7 |
CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C14H17N3O3/c1-9(18)15-16-14(20)13-7-11-5-3-4-6-12(11)8-17(13)10(2)19/h3-6,13H,7-8H2,1-2H3,(H,15,18)(H,16,20)/t13-/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SATVLGDJXZFYJA-ZDUSSCGKSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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37 (20 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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2023-08-15
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Last modified at ![](/pdbe/static/images/help.png)
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2023-11-03
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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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