BIY

(3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid

Created:	2009-06-04
Last modified:	2024-09-27

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2 entries where BIY is covalently linked to polymer or other heterogen groups

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

2D diagram of BIY

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Chemical Component Summary
Name	(3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid
Systematic Name (OpenEye OEToolkits)	(5S)-6,6-dimethyl-4,5-dihydro-1,4-thiazine-2,5-dicarboxylic acid
Formula	C₈ H₁₁ N O₄ S
Molecular Weight	217.242
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)C=1SC(C)(C)C(C(=O)O)NC=1
SMILES	CACTVS	3.352	CC1(C)SC(=CN[CH]1C(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.6.1	CC1(C(NC=C(S1)C(=O)O)C(=O)O)C
Canonical SMILES	CACTVS	3.352	CC1(C)SC(=CN[C@H]1C(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.6.1	CC1([C@@H](NC=C(S1)C(=O)O)C(=O)O)C
InChI	InChI	1.03	InChI=1S/C8H11NO4S/c1-8(2)5(7(12)13)9-3-4(14-8)6(10)11/h3,5,9H,1-2H3,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKey	InChI	1.03	VSZLPINYHQLOJH-YFKPBYRVSA-N

Related Resource References

Resource Name	Reference
PubChem	44472878

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