Found 1 result

Search term: LBELPXKBSWIZDQ-GRBGTUGSSA-O (Found by InChIKey (full match))
ChemSpider 2D Image | N~2~-[6-({N~2~-[8-({2-[(5-Isoquinolinylsulfonyl)amino]ethyl}amino)octanoyl]-D-arginyl}amino)hexanoyl]-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-N~6~-({14-[hydroxy(methylene)oxido-lam bda~6~-sulfanyl]-16,16,18,18-tetramethyl-6,7,7a,8a,9,10,16,18-octahydrobenzo[2'',3'']indolizino[8'',7'':5',6']pyrano[3',2':3,4]pyrido[1,2-a]indol-11-ium-2-yl}acetyl)-D-lysinamide (name for given tauto mer) | C105H168N37O16S2

N2-[6-({N2-[8-({2-[(5-Isoquinolinylsulfonyl)amino]ethyl}amino)octanoyl]-D-arginyl}amino)hexanoyl]-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-D-arginyl-N6-({14-[hydroxy(methylene)oxido-lam bda6-sulfanyl]-16,16,18,18-tetramethyl-6,7,7a,8a,9,10,16,18-octahydrobenzo[2'',3'']indolizino[8'',7'':5',6']pyrano[3',2':3,4]pyrido[1,2-a]indol-11-ium-2-yl}acetyl)-D-lysinamide (name for given tauto mer)

  • Molecular FormulaC105H168N37O16S2
  • Average mass2268.825 Da
  • Monoisotopic mass2267.290527 Da
  • ChemSpider ID28532179

  • Charge - Charge

    defined stereocentres - 8 of 10 defined stereocentres

More details:

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

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 53
#H bond donors: 43
#Freely Rotating Bonds: 78
#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: 908 Å2
Polarizability:
Surface Tension:
Molar Volume:

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