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G2B : Summary
Code ![](/pdbe/static/images/help.png)
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G2B
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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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1-[(2~{R},3~{S})-2-azanyl-3-oxidanyl-butyl]urea
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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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C5 H13 N3 O2
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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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147.176 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
C[CH](O)[CH](N)CNC(N)=O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(C(CNC(=O)N)N)O |
Canonical SMILES
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CACTVS |
3.385 |
C[C@H](O)[C@H](N)CNC(N)=O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
C[C@@H]([C@@H](CNC(=O)N)N)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C5H13N3O2/c1-3(9)4(6)2-8-5(7)10/h3-4,9H,2,6H2,1H3,(H3,7,8,10)/t3-,4+/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | DMDDGYOTJFLDRR-IUYQGCFVSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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23 (10 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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2018-08-22
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Last modified at ![](/pdbe/static/images/help.png)
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2020-07-03
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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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