CD6

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

Created:	2012-01-19
Last modified:	2024-09-27

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1 entries where CD6 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	2
Bond Count	40
Aromatic Bond Count	6

2D diagram of CD6

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Chemical Component Summary
Name	(2R)-5-methylidene-2-{(1R)-2-oxo-1-[(phenylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(2R)-5-methylidene-2-[(1R)-2-oxidanylidene-1-(2-phenylethanoylamino)ethyl]-2H-1,3-thiazine-4-carboxylic acid
Formula	C₁₆ H₁₆ N₂ O₄ S
Molecular Weight	332.374
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=CC(NC(=O)Cc1ccccc1)C2N=C(C(=O)O)\C(=C)CS2
SMILES	CACTVS	3.370	OC(=O)C1=N[CH](SCC1=C)[CH](NC(=O)Cc2ccccc2)C=O
SMILES	OpenEye OEToolkits	1.7.6	C=C1CSC(N=C1C(=O)O)C(C=O)NC(=O)Cc2ccccc2
Canonical SMILES	CACTVS	3.370	OC(=O)C1=N[C@H](SCC1=C)[C@H](NC(=O)Cc2ccccc2)C=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C=C1CS[C@@H](N=C1C(=O)O)[C@@H](C=O)NC(=O)Cc2ccccc2
InChI	InChI	1.03	InChI=1S/C16H16N2O4S/c1-10-9-23-15(18-14(10)16(21)22)12(8-19)17-13(20)7-11-5-3-2-4-6-11/h2-6,8,12,15H,1,7,9H2,(H,17,20)(H,21,22)/t12-,15-/m1/s1
InChIKey	InChI	1.03	ISCTZDPSWLBTMN-IUODEOHRSA-N

Related Resource References

Resource Name	Reference
PubChem	137349080

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