2TV

(2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

Created:	2014-01-30
Last modified:	2024-09-27

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

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	2
Bond Count	32
Aromatic Bond Count	0

2D diagram of 2TV

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Chemical Component Summary
Name	(2R,5Z)-5-[(acetyloxy)methylidene]-2-[(1R)-1-(formylamino)-2-oxoethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Synonyms	N-formyl 7-aminocephalosporanic acid, bound form
Systematic Name (OpenEye OEToolkits)	(5Z)-5-(acetyloxymethylidene)-2-(1-formamido-2-oxidanylidene-ethyl)-2H-1,3-thiazine-4-carboxylic acid
Formula	C₁₁ H₁₂ N₂ O₆ S
Molecular Weight	300.288
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=CC(NC=O)C1N=C(\C(=C\OC(=O)C)CS1)C(=O)O
SMILES	CACTVS	3.370	CC(=O)OC=C1CS[CH](N=C1C(O)=O)[CH](NC=O)C=O
SMILES	OpenEye OEToolkits	1.7.6	CC(=O)OC=C1CSC(N=C1C(=O)O)C(C=O)NC=O
Canonical SMILES	CACTVS	3.370	CC(=O)O\C=C1/CS[C@@H](N=C1C(O)=O)[C@H](NC=O)C=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC(=O)O/C=C/1\CSC(N=C1C(=O)O)C(C=O)NC=O
InChI	InChI	1.03	InChI=1S/C11H12N2O6S/c1-6(16)19-3-7-4-20-10(8(2-14)12-5-15)13-9(7)11(17)18/h2-3,5,8,10H,4H2,1H3,(H,12,15)(H,17,18)/b7-3+/t8-,10-/m1/s1
InChIKey	InChI	1.03	FUAVSDQKXSFRBB-WPGHDDCOSA-N

Related Resource References

Resource Name	Reference
PubChem	137348083

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