(10S,13R)-13-[(Benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-3,12,21-trioxo-1,4,11,20,23-pentaazatetracyclo[21.3.2.2^5,8.2^15,18]dotriaconta-5,7,15,17,29,31-hexaene-10-carboxamide trifluoroacetate (1:1)

Molecular FormulaC₄₅H₅₂F₃N₉O₈S
Average mass936.010 Da
Monoisotopic mass935.361145 Da
ChemSpider ID29398239

- 2 of 2 defined stereocentres

More details:

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(10S,13R)-13-[(Benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-3,12,21-trioxo-1,4,11,20,23-pentaazatetracyclo[21.3.2.2^5,8.2^15,18]dotriaconta-5,7,15,17,29,31-hexaene-10-carboxamide trifluoroacetate 
 (1:1) [ACD/IUPAC Name]

Acetic acid, 2,2,2-trifluoro-, compd. with (10S,13R)-N-[[4-(aminoiminomethyl)phenyl]methyl]-3,12,21-trioxo-13-[[(phenylmethyl)sulfonyl]amino]-1,4,11,20,23-pentaazatetracyclo[21.3.2.2^5,8.2^15,18]dot riaconta-5,7,15,17,29,31-hexaene-10-carboxamide (1:1) [ACD/Index Name]

Acide trifluoroacétique - (10S,13R)-13-[(benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-3,12,21-trioxo-1,4,11,20,23-pentaazatétracyclo[21.3.2.2^5,8.2^15,18]dotriaconta-5,7,15,17,29,31-hexaène-10-ca rboxamide (1:1) [French] [ACD/IUPAC Name]

Trifluoressigsäure --(10S,13R)-13-[(benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-3,12,21-trioxo-1,4,11,20,23-pentaazatetracyclo[21.3.2.2^5,8.2^15,18]dotriaconta-5,7,15,17,29,31-hexaen-10-carboxam id (1:1) [German] [ACD/IUPAC Name]

Predicted - ACD/Labs
Predicted - ChemAxon

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:

ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

Found 1 result

(10S,13R)-13-[(Benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-3,12,21-trioxo-1,4,11,20,23-pentaazatetracyclo[21.3.2.2^5,8.2^15,18]dotriaconta-5,7,15,17,29,31-hexaene-10-carboxamide trifluoroacetate (1:1)

More details:

Search ChemSpider:

Search Google:

Found 1 result

(10S,13R)-13-[(Benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-3,12,21-trioxo-1,4,11,20,23-pentaazatetracyclo[21.3.2.25,8.215,18]dotriaconta-5,7,15,17,29,31-hexaene-10-carboxamide trifluoroacetate (1:1)

More details:

Search ChemSpider:

Search Google:

(10S,13R)-13-[(Benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-3,12,21-trioxo-1,4,11,20,23-pentaazatetracyclo[21.3.2.2^5,8.2^15,18]dotriaconta-5,7,15,17,29,31-hexaene-10-carboxamide trifluoroacetate (1:1)