CZS

3-(6-chloro-1,3-benzothiazol-2-yl)-L-alanine

Created:	2017-10-09
Last modified:	2024-09-27

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1 entries where CZS is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	25
Chiral Atom Count	1
Bond Count	26
Aromatic Bond Count	10

2D diagram of CZS

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Chemical Component Summary
Name	3-(6-chloro-1,3-benzothiazol-2-yl)-L-alanine
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-azanyl-3-(6-chloranyl-1,3-benzothiazol-2-yl)propanoic acid
Formula	C₁₀ H₉ Cl N₂ O₂ S
Molecular Weight	256.709
Type	PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(Cc2sc1cc(Cl)ccc1n2)C(=O)O
SMILES	CACTVS	3.385	N[CH](Cc1sc2cc(Cl)ccc2n1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(cc1Cl)sc(n2)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.385	N[C@@H](Cc1sc2cc(Cl)ccc2n1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc2c(cc1Cl)sc(n2)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C10H9ClN2O2S/c11-5-1-2-7-8(3-5)16-9(13-7)4-6(12)10(14)15/h1-3,6H,4,12H2,(H,14,15)/t6-/m0/s1
InChIKey	InChI	1.03	KSSCXTPJNWLKBQ-LURJTMIESA-N

Related Resource References

Resource Name	Reference
PubChem	137349144

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