SF8

(2R)-2-(2-{[(1R)-1-carboxy-4-{[(3S)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoethyl)-2-hydroxybutanedioic acid

Created:2010-02-01
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count3
Bond Count56
Aromatic Bond Count0
2D diagram of SF8

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Chemical Component Summary

Name(2R)-2-(2-{[(1R)-1-carboxy-4-{[(3S)-3,4-dicarboxy-3-hydroxybutanoyl]amino}butyl]amino}-2-oxoethyl)-2-hydroxybutanedioic acid
SynonymsStaphyloferrin A
Systematic Name (OpenEye OEToolkits)(2R)-2-[2-[[(2R)-5-[[(3S)-3-carboxy-3,5-dihydroxy-5-oxo-pentanoyl]amino]-1-hydroxy-1-oxo-pentan-2-yl]amino]-2-oxo-ethyl]-2-hydroxy-butanedioic acid
FormulaC17 H24 N2 O14
Molecular Weight480.377
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.352OC(=O)C[C](O)(CC(=O)NCCC[CH](NC(=O)C[C](O)(CC(O)=O)C(O)=O)C(O)=O)C(O)=O
SMILESOpenEye OEToolkits1.7.0C(CC(C(=O)O)NC(=O)CC(CC(=O)O)(C(=O)O)O)CNC(=O)CC(CC(=O)O)(C(=O)O)O
Canonical SMILESCACTVS3.352 OC(=O)C[C@@](O)(CC(=O)NCCC[C@@H](NC(=O)C[C@@](O)(CC(O)=O)C(O)=O)C(O)=O)C(O)=O
Canonical SMILESOpenEye OEToolkits1.7.0 C(C[C@H](C(=O)O)NC(=O)C[C@@](CC(=O)O)(C(=O)O)O)CNC(=O)C[C@](CC(=O)O)(C(=O)O)O
InChIInChI1.03 InChI=1S/C17H24N2O14/c20-9(4-16(32,14(28)29)6-11(22)23)18-3-1-2-8(13(26)27)19-10(21)5-17(33,15(30)31)7-12(24)25/h8,32-33H,1-7H2,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)/t8-,16+,17-/m1/s1
InChIKeyInChI1.03 VJSIXUQLTJCRCS-DFQXCPINSA-N

Related Resource References

Resource NameReference
PubChem 44608022