0AK

(2S)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid

Created:	2007-11-11
Last modified:	2024-09-27

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1 entries where 0AK is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	22
Chiral Atom Count	1
Bond Count	21
Aromatic Bond Count	0

2D diagram of 0AK

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Chemical Component Summary
Name	(2S)-2-amino-4-(2-chloroethoxy)-4-oxobutanoic acid
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-4-(2-chloroethoxy)-4-oxo-butanoic acid
Formula	C₆ H₁₀ Cl N O₄
Molecular Weight	195.601
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCCCl)CC(N)C(=O)O
SMILES	CACTVS	3.341	N[CH](CC(=O)OCCCl)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(CCl)OC(=O)CC(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](CC(=O)OCCCl)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CCl)OC(=O)C[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C6H10ClNO4/c7-1-2-12-5(9)3-4(8)6(10)11/h4H,1-3,8H2,(H,10,11)/t4-/m0/s1
InChIKey	InChI	1.03	TZDZYSQZECUBEP-BYPYZUCNSA-N

Related Resource References

Resource Name	Reference
PubChem	49866379

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