Mezlocillin

Details

• Internal ID: 5dd0d495-7f48-49aa-b3d9-f1af8f0880e8
• Taxonomy: Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides
• IUPAC Name: (2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• InChI: InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1
• InChI Key: YPBATNHYBCGSSN-VWPFQQQWSA-N
• Popularity: 2,663 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₁H₂₅N₅O₈S₂
• Molecular Weight: 539.60 g/mol
• Exact Mass: 539.11445512 g/mol
• Topological Polar Surface Area (TPSA): 207.00 Ų
• XlogP: -0.20

Synonyms

• 51481-65-3
• Mezlin
• Mezlocilina
• Mezlocillinum
• Mezlocilline
• Multocillin
• Baypen
• CHEBI:6919
• (2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• Mezlocillin acid
• OH2O403D1G
• (2S,5R,6R)-3,3-dimethyl-6-{[(2R)-2-({[3-(methylsulfonyl)-2-oxoimidazolidin-1-yl]carbonyl}amino)-2-phenylacetyl]amino}-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• DTXSID1023316
• BAY-F-1353
• 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}penicillanic acid
• NCGC00167470-01
• Bay-f 1353
• (2S,5R,6R)-3,3-Dimethyl-6-((R)-2-(3-(methylsulfonyl)-2-oxo-1-imidazolidinecarboxamido)-2-phenylacetamido)-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid
• (2S,5R,6R)-3,3-dimethyl-6-((R)-2-(3-(methylsulfonyl)-2-oxoimidazolidine-1-carboxamido)-2-phenylacetamido)-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• Mezlocillin (USAN/INN)
• Mezlocilina [INN-Spanish]
• Mezlocilline [INN-French]
• Mezlocillinum [INN-Latin]
• UNII-OH2O403D1G
• Mezlocillin [USAN:INN:BAN]
• Mezlocillin,(S)
• (2S,5R,6R)-3,3-Dimethyl-6-[(R)-2-[3-(methylsulfonyl)-2-oxo-1-imidazolidinecarboxamido]-2-phenylacetamido]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• EINECS 257-233-8
• MEZLOCILLIN [MI]
• MEZLOCILLIN [INN]
• MEZLOCILLIN [USAN]
• Epitope ID:120371
• MEZLOCILLIN [VANDF]
• CHEMBL1731
• MEZLOCILLIN [MART.]
• SCHEMBL34075
• MEZLOCILLIN [WHO-DD]
• DTXCID603316
• GTPL12272
• HY-B1466A
• YPBATNHYBCGSSN-VWPFQQQWSA-N
• Tox21_112474
• AKOS016010407
• DB00948
• (methylsulfonyl)-2-oxoimidazolidine-1-
• carboxamido)-2-phenylacetamido)-7-oxo-
• NCGC00167470-03
• NCGC00167470-05
• 6beta-{(2R)-2-[3-(methanesulfonyl)-2-oxoimidazolidine-1-carboxamido]-2-phenylacetamido}-2,2-dimethylpenam-3alpha-carboxylic acid
• AS-11668
• CAS-51481-65-3
• CS-0013695
• C07221
• D05021
• A828617
• EN300-19734688
• (2S,5R,6R)-3,3-dimethyl-6-((R)-2-(3-
• Q3307752
• (2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[(3-methylsulfonyl-2-oxidanylidene-imidazolidin-1-yl)carbonylamino]-2-phenyl-ethanoyl]amino]-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• (2S,5R,6R)-3,3-dimethyl-6-[[(2R)-2-[[(3-methylsulfonyl-2-oxo-1-imidazolidinyl)-oxomethyl]amino]-1-oxo-2-phenylethyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• (2S,5R,6R)-6-[(2R)-2-[(3-methanesulfonyl-2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• (2S,5R,6R)-6-[(2R)-2-{[(3-methanesulfonyl-2-oxoimidazolidin-1-yl)carbonyl]amino}-2-phenylacetamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
• 4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-6-(((((3-(METHYLSULFONYL)-2-OXO-1-IMIDAZOLIDINYL)CARBONYL)AMINO)PHENYLACETYL)AMINO)-7-OXO-, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.(S*)))
• 4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-6-(((((3-(methylsulfonyl)-2-oxo-1-imidazolidinyl)carbonyl)amino)phenylacetyl)amino)-7-oxo-, (2S-(2alpha,5alpha,6beta(S*)))
• 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-[[(2R)-2-[[[3-(methylsulfonyl)-2-oxo-1-imidazolidinyl]carbonyl]amino]-2-phenylacetyl]amino]-7-oxo-, (2S,5R,6R)-

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	98.44%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.62%	95.56%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.58%	96.09%
CHEMBL221	P23219	Cyclooxygenase-1	95.91%	90.17%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	95.09%	99.23%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	93.92%	82.69%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	92.44%	85.14%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.33%	91.11%
CHEMBL340	P08684	Cytochrome P450 3A4	88.91%	91.19%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	85.55%	93.00%
CHEMBL3524	P56524	Histone deacetylase 4	85.49%	92.97%
CHEMBL5028	O14672	ADAM10	84.78%	97.50%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	83.71%	97.14%
CHEMBL274	P51681	C-C chemokine receptor type 5	83.48%	98.77%
CHEMBL2335	P42785	Lysosomal Pro-X carboxypeptidase	83.20%	100.00%
CHEMBL3359	P21462	Formyl peptide receptor 1	82.08%	93.56%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 656511
• LOTUS: LTS0024422
• wikiData: Q3307752