HCL

(2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid

Created:	2012-03-05
Last modified:	2024-09-27

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2 entries where HCL is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	22
Aromatic Bond Count	6

2D diagram of HCL

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Chemical Component Summary
Name	(2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid
Systematic Name (OpenEye OEToolkits)	(2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid
Formula	C₈ H₈ Cl N O₄
Molecular Weight	217.606
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.370	N[CH](C(O)=O)c1cc(O)cc(O)c1Cl
SMILES	OpenEye OEToolkits	1.7.6	c1c(cc(c(c1C(C(=O)O)N)Cl)O)O
Canonical SMILES	CACTVS	3.370	N[C@H](C(O)=O)c1cc(O)cc(O)c1Cl
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1c(cc(c(c1[C@@H](C(=O)O)N)Cl)O)O
InChI	InChI	1.03	InChI=1S/C8H8ClNO4/c9-6-4(7(10)8(13)14)1-3(11)2-5(6)12/h1-2,7,11-12H,10H2,(H,13,14)/t7-/m0/s1
InChIKey	InChI	1.03	DFGDRLKNGUTURO-ZETCQYMHSA-N

Related Resource References

Resource Name	Reference
PubChem	137349502

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