(6S,18R,21S,30S)-18-[(Benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-6,30-dimethyl-3,10,19-trioxo-2,5,8,11,20-pentaazatetracyclo[21.2.2.2^5,8.2^13,16]hentriaconta-1(25),13,15,23,26,28-hexaene-21-ca rboxamide trifluoroacetate (1:1)

Molecular FormulaC₄₆H₅₄F₃N₉O₈S
Average mass950.037 Da
Monoisotopic mass949.376831 Da
ChemSpider ID29394790

- 4 of 4 defined stereocentres

More details:

Names and Synonyms

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

(6S,18R,21S,30S)-18-[(Benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-6,30-dimethyl-3,10,19-trioxo-2,5,8,11,20-pentaazatetracyclo[21.2.2.2^5,8.2^13,16]hentriaconta-1(25),13,15,23,26,28-hexaene-21-ca ;rboxamide trifluoroacetate (1:1) [ACD/IUPAC Name]

Acetic acid, 2,2,2-trifluoro-, compd. with (6S,18R,21S,30S)-N-[[4-(aminoiminomethyl)phenyl]methyl]-6,30-dimethyl-3,10,19-trioxo-18-[[(phenylmethyl)sulfonyl]amino]-2,5,8,11,20-pentaazatetracyclo[21.2.2 ;.2^5,8.2^13,16]hentriaconta-13,15,23,25,26,28-hexaene-21-carboxamide (1:1) [ACD/Index Name]

Acide trifluoroacétique - (6S,18R,21S,30S)-18-[(benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-6,30-diméthyl-3,10,19-trioxo-2,5,8,11,20-pentaazatétracyclo[21.2.2.2^5,8.2^13,16]héntriaconta-1(25),13 ,15,23,26,28-hexaène-21-carboxamide (1:1) [French] [ACD/IUPAC Name]

Trifluoressigsäure --(6S,18R,21S,30S)-18-[(benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-6,30-dimethyl-3,10,19-trioxo-2,5,8,11,20-pentaazatetracyclo[21.2.2.2^5,8.2^13,16]hentriaconta-1(25),13,15,2 3,26,28-hexaen-21-carboxamid (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

(6S,18R,21S,30S)-18-[(Benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-6,30-dimethyl-3,10,19-trioxo-2,5,8,11,20-pentaazatetracyclo[21.2.2.2^5,8.2^13,16]hentriaconta-1(25),13,15,23,26,28-hexaene-21-ca rboxamide trifluoroacetate (1:1)

More details:

Search ChemSpider:

Search Google:

Found 1 result

(6S,18R,21S,30S)-18-[(Benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-6,30-dimethyl-3,10,19-trioxo-2,5,8,11,20-pentaazatetracyclo[21.2.2.25,8.213,16]hentriaconta-1(25),13,15,23,26,28-hexaene-21-ca rboxamide trifluoroacetate (1:1)

More details:

Search ChemSpider:

Search Google:

(6S,18R,21S,30S)-18-[(Benzylsulfonyl)amino]-N-(4-carbamimidoylbenzyl)-6,30-dimethyl-3,10,19-trioxo-2,5,8,11,20-pentaazatetracyclo[21.2.2.2^5,8.2^13,16]hentriaconta-1(25),13,15,23,26,28-hexaene-21-ca rboxamide trifluoroacetate (1:1)