79F

(2~{S})-4-methyl-2-[[(2~{S})-3-oxidanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]pentanoic acid

Created: 2016-09-16
Last modified:  2017-08-16

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Chemical Details

Formal Charge0
Atom Count58
Chiral Atom Count2
Bond Count58
Aromatic Bond Count6
2D diagram of 79F
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Chemical Component Summary

Name(2~{S})-4-methyl-2-[[(2~{S})-3-oxidanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]pentanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S})-4-methyl-2-[[(2~{S})-3-oxidanyl-2-[[oxidanyl(phenylmethoxycarbonylaminomethyl)phosphoryl]amino]propanoyl]amino]pentanoic acid
FormulaC18 H28 N3 O8 P
Molecular Weight445.404
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CC(C)C[CH](NC(=O)[CH](CO)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O
SMILESOpenEye OEToolkits2.0.5CC(C)CC(C(=O)O)NC(=O)C(CO)NP(=O)(CNC(=O)OCc1ccccc1)O
Canonical SMILESCACTVS3.385 CC(C)C[C@H](NC(=O)[C@H](CO)N[P](O)(=O)CNC(=O)OCc1ccccc1)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.5 CC(C)C[C@@H](C(=O)O)NC(=O)[C@H](CO)NP(=O)(CNC(=O)OCc1ccccc1)O
InChIInChI1.03 InChI=1S/C18H28N3O8P/c1-12(2)8-14(17(24)25)20-16(23)15(9-22)21-30(27,28)11-19-18(26)29-10-13-6-4-3-5-7-13/h3-7,12,14-15,22H,8-11H2,1-2H3,(H,19,26)(H,20,23)(H,24,25)(H2,21,27,28)/t14-,15-/m0/s1
InChIKeyInChI1.03 SSYZVHUEGYLORV-GJZGRUSLSA-N

Related Resource References

Resource NameReference
PubChem 129318944