TSL

TRANS-ENAMINE INTERMEDIATE OF SULBACTAM

Created:	2005-07-28
Last modified:	2024-09-27

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2 entries where TSL is found as a standalone ligand11 entries where TSL is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	28
Chiral Atom Count	2
Bond Count	27
Aromatic Bond Count	0

2D diagram of TSL

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Chemical Component Summary
Name	TRANS-ENAMINE INTERMEDIATE OF SULBACTAM
Systematic Name (OpenEye OEToolkits)	(2S)-3-methyl-2-[[(E)-3-oxoprop-1-enyl]amino]-3-sulfino-butanoic acid
Formula	C₈ H₁₃ N O₅ S
Molecular Weight	235.258
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(O)C(C(N\C=C\C=O)C(=O)O)(C)C
SMILES	CACTVS	3.385	CC(C)([CH](NC=CC=O)C(O)=O)[S](O)=O
SMILES	OpenEye OEToolkits	1.7.5	CC(C)(C(C(=O)O)NC=CC=O)S(=O)O
Canonical SMILES	CACTVS	3.385	CC(C)([C@@H](N\C=C\C=O)C(O)=O)[S](O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.5	CC(C)([C@H](C(=O)O)N/C=C/C=O)[S@@](=O)O
InChI	InChI	1.03	InChI=1S/C8H13NO5S/c1-8(2,15(13)14)6(7(11)12)9-4-3-5-10/h3-6,9H,1-2H3,(H,11,12)(H,13,14)/b4-3+/t6-/m0/s1
InChIKey	InChI	1.03	DPHUOYJKDIRKGT-YUDCMIJISA-N

Related Resource References

Resource Name	Reference
PubChem	5289500

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