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G8M : Summary
Code ![](/pdbe/static/images/help.png)
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G8M
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One-letter code ![](/pdbe/static/images/help.png)
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E
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Molecule name ![](/pdbe/static/images/help.png)
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(1S,2R)-2-[(S)-amino(carboxy)methyl]cyclobutanecarboxylic 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 O4
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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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173.167 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)C(N)C1CCC1C(=O)O |
SMILES
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CACTVS |
3.370 |
N[CH]([CH]1CC[CH]1C(O)=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.7.6 |
C1CC(C1C(C(=O)O)N)C(=O)O |
Canonical SMILES
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CACTVS |
3.370 |
N[C@@H]([C@@H]1CC[C@@H]1C(O)=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.7.6 |
C1C[C@@H]([C@@H]1[C@@H](C(=O)O)N)C(=O)O |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C7H11NO4/c8-5(7(11)12)3-1-2-4(3)6(9)10/h3-5H,1-2,8H2,(H,9,10)(H,11,12)/t3-,4+,5+/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | SRAFHGOPGVYULO-WISUUJSJSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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23 (12 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Amino Acid
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Type description ![](/pdbe/static/images/help.png)
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L-PEPTIDE LINKING
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Type code ![](/pdbe/static/images/help.png)
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ATOMP
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Is modified ![](/pdbe/static/images/help.png)
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Yes
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Standard parent ![](/pdbe/static/images/help.png)
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GLU
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Defined at ![](/pdbe/static/images/help.png)
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2012-07-30
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Last modified at ![](/pdbe/static/images/help.png)
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2021-03-13
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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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