Found 1 result

Search term: UIWMVSPVUCYEJT-BCUHWZKVSA-N (Found by InChIKey (full match))

ChemSpider 2D Image | N~2~-[6-({2-[(5-Isoquinolinylsulfonyl)amino]ethyl}amino)hexanoyl]-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-N~5~-[N-(N~2~-{2-[3,6-bis(dimethylamino)-3H-xanthen-9-yl]-5-carboxybenzoyl}-D-lysyl)
carbamimidoyl]-D-ornithinamide (name for given tautomer) | C84H130N32O14S

N2-[6-({2-[(5-Isoquinolinylsulfonyl)amino]ethyl}amino)hexanoyl]-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-N5-[N-(N2-{2-[3,6-bis(dimethylamino)-3H-xanthen-9-yl]-5-carboxybenzoyl}-D-lysyl) carbamimidoyl]-D-ornithinamide (name for given tautomer)

  • Molecular FormulaC84H130N32O14S
  • Average mass1844.202 Da
  • Monoisotopic mass1843.016479 Da
  • ChemSpider ID28532328
  • defined stereocentres - 7 of 8 defined stereocentres


More details:






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

D-Ornithinamide, N2-[6-[[2-[(5-isoquinolinylsulfonyl)amino]ethyl]amino]-1-oxohexyl]-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-N5-[[[(2R)-6-amino-2-[[2-[3,6-bis(dimethylamino)-3H-xanthen-9- yl]-5-carboxybenzoyl]amino]-1-oxohexyl]amino]iminomethyl]- [ACD/Index Name]
N2-[6-({2-[(5-Isochinolinylsulfonyl)amino]ethyl}amino)hexanoyl]-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-N5-[N-(N2-{2-[3,6-bis(dimethylamino)-3H-xanthen-9-yl]-5-carboxybenzoyl}-D-lysyl) carbamimidoyl]-D-ornithinamid (name for given tautomer) [German] [ACD/IUPAC Name]
N2-[6-({2-[(5-Isoquinoléinylsulfonyl)amino]éthyl}amino)hexanoyl]-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-N5-[N-(N2-{2-[3,6-bis(diméthylamino)-3H-xanthén-9-yl]-5-carboxybenzoyl}-D-lysyl 
)carbamimidoyl]-D-ornithinamide (name for given tautomer) [French] [ACD/IUPAC Name]
N2-[6-({2-[(5-Isoquinolinylsulfonyl)amino]ethyl}amino)hexanoyl]-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-N5-[N-(N2-{2-[3,6-bis(dimethylamino)-3H-xanthen-9-yl]-5-carboxybenzoyl}-D-lysyl) carbamimidoyl]-D-ornithinamide (name for given tautomer) [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.688
Molar Refractivity: 478.9±0.5 cm3
#H bond acceptors: 46
#H bond donors: 37
#Freely Rotating Bonds: 65
#Rule of 5 Violations: 3
ACD/LogP: -6.37
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: 780 Å2
Polarizability: 189.9±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 1256.1±7.0 cm3

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