DV7
L-(7-hydroxycoumarin-4-yl)ethylglycine
Created: | 2017-11-09 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 32 |
Chiral Atom Count | 1 |
Bond Count | 33 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | L-(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 |
Formula | C13 H13 N O5 |
Molecular Weight | 263.246 |
Type | L-PEPTIDE LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C(CCC=2c1ccc(O)cc1OC(C=2)=O)N)(=O)O |
SMILES | CACTVS | 3.385 | N[CH](CCC1=CC(=O)Oc2cc(O)ccc12)C(O)=O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1O)OC(=O)C=C2CCC(C(=O)O)N |
Canonical SMILES | CACTVS | 3.385 | N[C@@H](CCC1=CC(=O)Oc2cc(O)ccc12)C(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(cc1O)OC(=O)C=C2CC[C@@H](C(=O)O)N |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | QEQAKQQRJFWPOR-JTQLQIEISA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 57523941 |