DV7

L-(7-hydroxycoumarin-4-yl)ethylglycine

Created: 2017-11-09
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count1
Bond Count33
Aromatic Bond Count6
2D diagram of DV7

Chemical Component Summary

NameL-(7-hydroxycoumarin-4-yl)ethylglycine
Synonyms(2S)-2-amino-4-(7-hydroxy-2-oxo-2H-1-benzopyran-4-yl)butanoic acid
Systematic Name (OpenEye OEToolkits)(2~{S})-2-azanyl-4-(7-oxidanyl-2-oxidanylidene-chromen-4-yl)butanoic acid
FormulaC13 H13 N O5
Molecular Weight263.246
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C(C(CCC=2c1ccc(O)cc1OC(C=2)=O)N)(=O)O
SMILESCACTVS3.385N[CH](CCC1=CC(=O)Oc2cc(O)ccc12)C(O)=O
SMILESOpenEye OEToolkits2.0.6c1cc2c(cc1O)OC(=O)C=C2CCC(C(=O)O)N
Canonical SMILESCACTVS3.385 N[C@@H](CCC1=CC(=O)Oc2cc(O)ccc12)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.6 c1cc2c(cc1O)OC(=O)C=C2CC[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C13H13NO5/c14-10(13(17)18)4-1-7-5-12(16)19-11-6-8(15)2-3-9(7)11/h2-3,5-6,10,15H,1,4,14H2,(H,17,18)/t10-/m0/s1
InChIKeyInChI1.03 QEQAKQQRJFWPOR-JTQLQIEISA-N

Related Resource References

Resource NameReference
PubChem 57523941