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NCB : Summary
Code ![](/pdbe/static/images/help.png)
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NCB
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One-letter code ![](/pdbe/static/images/help.png)
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A
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Molecule name ![](/pdbe/static/images/help.png)
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N-CARBAMOYL-ALANINE
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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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C4 H8 N2 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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132.118 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 |
10.04 |
O=C(O)C(NC(=O)N)C |
SMILES
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CACTVS |
3.341 |
C[CH](NC(N)=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
CC(C(=O)O)NC(=O)N |
Canonical SMILES
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CACTVS |
3.341 |
C[C@@H](NC(N)=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C[C@H](C(=O)O)NC(=O)N |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/t2-/m1/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | LUSWEUMSEVLFEQ-UWTATZPHSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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17 (9 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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ALA
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Defined at ![](/pdbe/static/images/help.png)
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1999-10-10
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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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