SLA

Omuralide, open form

Created: 2011-06-04
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count4
Bond Count32
Aromatic Bond Count0
2D diagram of SLA

Chemical Component Summary

NameOmuralide, 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
FormulaC10 H17 N O4
Molecular Weight215.246
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=CC1(NC(=O)C(C1O)C)C(O)C(C)C
SMILESCACTVS3.385CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C=O
SMILESOpenEye OEToolkits1.7.6CC1C(C(NC1=O)(C=O)C(C(C)C)O)O
Canonical SMILESCACTVS3.385 CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C=O
Canonical SMILESOpenEye OEToolkits1.7.6 C[C@@H]1[C@@H]([C@@](NC1=O)(C=O)[C@H](C(C)C)O)O
InChIInChI1.03 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
InChIKeyInChI1.03 NREVXJAQSWMFJZ-CHIQAWFVSA-N

Related Resource References

Resource NameReference
PubChem 137350010