NZC
N-methylidene-L-threonine
Created: | 2015-02-05 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 20 |
Chiral Atom Count | 2 |
Bond Count | 19 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | N-methylidene-L-threonine |
Systematic Name (OpenEye OEToolkits) | (2S,3R)-2-(methylamino)-3-oxidanyl-butanoic acid |
Formula | C5 H11 N O3 |
Molecular Weight | 133.146 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C(NC)C(O)C |
SMILES | CACTVS | 3.385 | CN[CH]([CH](C)O)C(O)=O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC(C(C(=O)O)NC)O |
Canonical SMILES | CACTVS | 3.385 | CN[C@@H]([C@@H](C)O)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | C[C@H]([C@@H](C(=O)O)NC)O |
InChI | InChI | 1.03 | InChI=1S/C5H11NO3/c1-3(7)4(6-2)5(8)9/h3-4,6-7H,1-2H3,(H,8,9)/t3-,4+/m1/s1 |
InChIKey | InChI | 1.03 | CCAIIPMIAFGKSI-DMTCNVIQSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 7010355, 7010354 |