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X8Z : Summary
Code
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X8Z
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One-letter code
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X
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Molecule name
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L-CAPTOPRIL
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Systematic names
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Formula
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C9 H15 N O3 S
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Formal charge
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0
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Molecular weight
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217.285 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
10.04 |
O=C(O)C1N(C(=O)C(C)CS)CCC1 |
SMILES
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CACTVS |
3.352 |
C[CH](CS)C(=O)N1CCC[CH]1C(O)=O |
SMILES
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OpenEye OEToolkits |
1.6.1 |
CC(CS)C(=O)N1CCCC1C(=O)O |
Canonical SMILES
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CACTVS |
3.352 |
C[C@H](CS)C(=O)N1CCC[C@H]1C(O)=O |
Canonical SMILES
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OpenEye OEToolkits |
1.6.1 |
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)O |
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IUPAC InChI | InChI=1S/C9H15NO3S/c1-6(5-14)8(11)10-4-2-3-7(10)9(12)13/h6-7,14H,2-5H2,1H3,(H,12,13)/t6-,7+/m1/s1 |
IUPAC InChI key | FAKRSMQSSFJEIM-RQJHMYQMSA-N |
Has sub-components |
CC8
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wwPDB Information |
Atom count
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29 (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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HETAIN
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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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2010-03-14
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Last modified at
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2011-06-04
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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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