OL6

(2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid

Created: 2023-02-07
Last modified:  2024-02-07

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Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count3
Bond Count53
Aromatic Bond Count11
2D diagram of OL6
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Chemical Component Summary

Name(2R,4S)-5,5-dimethyl-2-[(1R)-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)(2~{R},4~{S})-5,5-dimethyl-2-[(1~{R})-1-(2-naphthalen-1-yloxyethanoylamino)-2-oxidanyl-2-oxidanylidene-ethyl]-1,3-thiazolidine-4-carboxylic acid
FormulaC20 H22 N2 O6 S
Molecular Weight418.463
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)COc2cccc3ccccc23)C(O)=O
SMILESOpenEye OEToolkits2.0.7CC1(C(NC(S1)C(C(=O)O)NC(=O)COc2cccc3c2cccc3)C(=O)O)C
Canonical SMILESCACTVS3.385 CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](NC(=O)COc2cccc3ccccc23)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC1([C@@H](N[C@H](S1)[C@@H](C(=O)O)NC(=O)COc2cccc3c2cccc3)C(=O)O)C
InChIInChI1.06 InChI=1S/C20H22N2O6S/c1-20(2)16(19(26)27)22-17(29-20)15(18(24)25)21-14(23)10-28-13-9-5-7-11-6-3-4-8-12(11)13/h3-9,15-17,22H,10H2,1-2H3,(H,21,23)(H,24,25)(H,26,27)/t15-,16-,17+/m0/s1
InChIKeyInChI1.06 UGGIHYYCRXQWCH-YESZJQIVSA-N

Related Resource References

Resource NameReference
PubChem 170456622