4OZ

methyl N-(2,3-dihydroxybenzoyl)-O-formyl-L-serinate

Created:	2015-04-29
Last modified:	2015-08-05

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1 entries where 4OZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	1
Bond Count	33
Aromatic Bond Count	6

2D diagram of 4OZ

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Chemical Component Summary
Name	methyl N-(2,3-dihydroxybenzoyl)-O-formyl-L-serinate
Systematic Name (OpenEye OEToolkits)	methyl (2S)-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-methanoyloxy-propanoate
Formula	C₁₂ H₁₃ N O₇
Molecular Weight	283.234
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COC(C(COC=O)NC(c1c(c(ccc1)O)O)=O)=O
SMILES	CACTVS	3.385	COC(=O)[CH](COC=O)NC(=O)c1cccc(O)c1O
SMILES	OpenEye OEToolkits	1.9.2	COC(=O)C(COC=O)NC(=O)c1cccc(c1O)O
Canonical SMILES	CACTVS	3.385	COC(=O)[C@H](COC=O)NC(=O)c1cccc(O)c1O
Canonical SMILES	OpenEye OEToolkits	1.9.2	COC(=O)[C@H](COC=O)NC(=O)c1cccc(c1O)O
InChI	InChI	1.03	InChI=1S/C12H13NO7/c1-19-12(18)8(5-20-6-14)13-11(17)7-3-2-4-9(15)10(7)16/h2-4,6,8,15-16H,5H2,1H3,(H,13,17)/t8-/m0/s1
InChIKey	InChI	1.03	SHACLOMOOCNGDP-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	91826032

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.