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PCV : Summary
Code
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PCV
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One-letter code
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X
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Molecule name
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5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID
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Synonyms
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PROCLAVAMINIC ACID
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Systematic names
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Formula
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C8 H14 N2 O4
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Formal charge
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0
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Molecular weight
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202.208 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C1N(C(C(=O)O)C(O)CCN)CC1 |
SMILES
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CACTVS |
3.341 |
NCC[CH](O)[CH](N1CCC1=O)C(O)=O |
SMILES
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OpenEye OEToolkits |
1.5.0 |
C1CN(C1=O)C(C(CCN)O)C(=O)O |
Canonical SMILES
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CACTVS |
3.341 |
NCC[C@@H](O)[C@H](N1CCC1=O)C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.5.0 |
C1CN(C1=O)[C@@H]([C@@H](CCN)O)C(=O)O |
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IUPAC InChI | InChI=1S/C8H14N2O4/c9-3-1-5(11)7(8(13)14)10-4-2-6(10)12/h5,7,11H,1-4,9H2,(H,13,14)/t5-,7+/m1/s1 |
IUPAC InChI key | NMCINKPVAOXDJH-VDTYLAMSSA-N |
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wwPDB Information |
Atom count
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28 (14 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAD
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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2000-01-21
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Last modified at
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2021-03-01
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Status
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Released
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Obsoleted
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Not Assigned
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