SLA
Omuralide, open form
Created: | 2011-06-04 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 32 |
Chiral Atom Count | 4 |
Bond Count | 32 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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Name | Omuralide, open form |
Synonyms | (2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde |
Systematic Name (OpenEye OEToolkits) | (2R,3S,4R)-4-methyl-2-[(1S)-2-methyl-1-oxidanyl-propyl]-3-oxidanyl-5-oxidanylidene-pyrrolidine-2-carbaldehyde |
Formula | C10 H17 N O4 |
Molecular Weight | 215.246 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=CC1(NC(=O)C(C1O)C)C(O)C(C)C |
SMILES | CACTVS | 3.385 | CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C=O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(C(NC1=O)(C=O)C(C(C)C)O)O |
Canonical SMILES | CACTVS | 3.385 | CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | C[C@@H]1[C@@H]([C@@](NC1=O)(C=O)[C@H](C(C)C)O)O |
InChI | InChI | 1.03 | InChI=1S/C10H17NO4/c1-5(2)7(13)10(4-12)8(14)6(3)9(15)11-10/h4-8,13-14H,1-3H3,(H,11,15)/t6-,7+,8+,10-/m1/s1 |
InChIKey | InChI | 1.03 | NREVXJAQSWMFJZ-CHIQAWFVSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 137350010 |