TBE

TAZOBACTAM INTERMEDIATE

Created:	2004-07-28
Last modified:	2024-09-27

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10 entries where TBE is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	34
Chiral Atom Count	2
Bond Count	34
Aromatic Bond Count	5

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Chemical Component Summary
Name	TAZOBACTAM INTERMEDIATE
Systematic Name (OpenEye OEToolkits)	(2S,3S)-3-methyl-2-[[(Z)-3-oxoprop-1-enyl]amino]-3-sulfino-4-(1,2,3-triazol-1-yl)butanoic acid
Formula	C₁₀ H₁₄ N₄ O₅ S
Molecular Weight	302.307
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)C(Cn1nncc1)(C)C(C(=O)O)N/C=C\C=O
SMILES	CACTVS	3.341	C[C](Cn1ccnn1)([CH](NC=CC=O)C(O)=O)[SH](=O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(Cn1ccnn1)(C(C(=O)O)NC=CC=O)S(=O)=O
Canonical SMILES	CACTVS	3.341	C[C@](Cn1ccnn1)([C@@H](N\C=C/C=O)C(O)=O)[SH](=O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@](Cn1ccnn1)([C@H](C(=O)O)N\C=C/C=O)S(=O)=O
InChI	InChI	1.03	InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11,20H,7H2,1H3,(H,16,17)/b3-2-/t8-,10-/m0/s1
InChIKey	InChI	1.03	ANZZKUOZZHRUQC-AARLMMRRSA-N

Drug Info: DrugBank

DrugBank ID	DB03834
Name	(3S)-3-(dioxidosulfanyl)-N-[(1Z)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine
Groups	experimental
Synonyms	Tazobactam Intermediate (3S)-3-(dioxidosulfanyl)-N-[(1Z)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Beta-lactamase SHV-1	MRYIRLCIISLLATLPLAVHASPQPLEQIKLSESQLSGRVGMIEMDLASG...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682