63V

(2S)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

Created:	2016-01-21
Last modified:	2024-09-27

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1 entries where 63V is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	2
Bond Count	37
Aromatic Bond Count	5

2D diagram of 63V

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Chemical Component Summary
Name	(2S)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-5-methylidene-2-[(1~{R})-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-2~{H}-1,3-thiazine-4-carboxylic acid
Formula	C₁₄ H₁₄ N₂ O₄ S₂
Molecular Weight	338.402
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(C\1=NC(SCC/1=C)C(C=O)NC(=O)Cc2sccc2)O
SMILES	CACTVS	3.385	OC(=O)C1=N[CH](SCC1=C)[CH](NC(=O)Cc2sccc2)C=O
SMILES	OpenEye OEToolkits	2.0.4	C=C1CSC(N=C1C(=O)O)C(C=O)NC(=O)Cc2cccs2
Canonical SMILES	CACTVS	3.385	OC(=O)C1=N[C@@H](SCC1=C)[C@H](NC(=O)Cc2sccc2)C=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	C=C1CS[C@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2cccs2
InChI	InChI	1.03	InChI=1S/C14H14N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13H,1,5,7H2,(H,15,18)(H,19,20)/t10-,13+/m1/s1
InChIKey	InChI	1.03	FYGLCWWPHIWVKN-MFKMUULPSA-N

Related Resource References

Resource Name	Reference
PubChem	137348429

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