59I

(2R,3R)-3-methyl-4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-2-[(2R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1H-pyrrole-5-carboxylic acid

Created: 2021-08-12
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count3
Bond Count46
Aromatic Bond Count0
2D diagram of 59I
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Chemical Component Summary

Name(2R,3R)-3-methyl-4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-2-[(2R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1H-pyrrole-5-carboxylic acid
Systematic Name (OpenEye OEToolkits)(2~{R},3~{R})-3-methyl-4-(2-oxidanylidene-2-propan-2-yloxy-ethyl)sulfanyl-2-[(2~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid
FormulaC15 H23 N O6 S
Molecular Weight345.411
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC(C)OC(=O)CSC1=C(N[CH]([CH]1C)[CH](C=O)C(C)O)C(O)=O
SMILESOpenEye OEToolkits2.0.7CC1C(NC(=C1SCC(=O)OC(C)C)C(=O)O)C(C=O)C(C)O
Canonical SMILESCACTVS3.385 CC(C)OC(=O)CSC1=C(N[C@@H]([C@H]1C)[C@@H](C=O)C(C)O)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 C[C@@H]1[C@H](NC(=C1SCC(=O)OC(C)C)C(=O)O)[C@@H](C=O)C(C)O
InChIInChI1.03 InChI=1S/C15H23NO6S/c1-7(2)22-11(19)6-23-14-8(3)12(10(5-17)9(4)18)16-13(14)15(20)21/h5,7-10,12,16,18H,6H2,1-4H3,(H,20,21)/t8-,9?,10?,12+/m1/s1
InChIKeyInChI1.03 BCFABNCZHGBALS-QARRAHMOSA-N

Related Resource References

Resource NameReference
PubChem 163321752