ChemSpider 2D Image | L-Arginyl-L-arginyl-N-[(3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-26,29-bis(4-aminobutyl)-12-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-6,23-bis(3-carbamimidamidopropyl)-9-[3-(carbamoylamino)prop yl]-3,20-bis(4-hydroxybenzyl)-1,4,7,10,18,21,24,27,30-nonaoxotriacontahydro-1H,16H-pyrrolo[1,2-r][1,2,6,9,12,15,18,21,24,27]dithiaoctaazacyclodotriacontin-17-yl]-3-(2-naphthyl)-L-alaninamide | C91H142N32O18S2

L-Arginyl-L-arginyl-N-[(3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-26,29-bis(4-aminobutyl)-12-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-6,23-bis(3-carbamimidamidopropyl)-9-[3-(carbamoylamino)prop yl]-3,20-bis(4-hydroxybenzyl)-1,4,7,10,18,21,24,27,30-nonaoxotriacontahydro-1H,16H-pyrrolo[1,2-r][1,2,6,9,12,15,18,21,24,27]dithiaoctaazacyclodotriacontin-17-yl]-3-(2-naphthyl)-L-alaninamide

  • Molecular FormulaC91H142N32O18S2
  • Average mass2036.435 Da
  • Monoisotopic mass2035.062134 Da
  • ChemSpider ID28502991

  • defined stereocentres - 14 of 14 defined stereocentres

More details:

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

L-Alaninamide, L-arginyl-L-arginyl-N-[(3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-26,29-bis(4-aminobutyl)-9-[3-[(aminocarbonyl)amino]propyl]-12-[[[(1S)-4-[(aminoiminomethyl)amino]-1-carboxybutyl]amino]car bonyl]-6,23-bis[3-[(aminoiminomethyl)amino]propyl]triacontahydro-3,20-bis[(4-hydroxyphenyl)methyl]-1,4,7,10,18,21,24,27,30-nonaoxo-1H,16H-pyrrolo[1,2-r][1,2,6,9,12,15,18,21,24,27]dithiaoctaazacyclodot riacontin-17-yl]-3-(2-naphthalenyl)- [ACD/Index Name]
L-Arginyl-L-arginyl-N-[(3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-26,29-bis(4-aminobutyl)-12-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-6,23-bis(3-carbamimidamidopropyl)-9-[3-(carbamoylamino)prop yl]-3,20-bis(4-hydroxybenzyl)-1,4,7,10,18,21,24,27,30-nonaoxotriacontahydro-1H,16H-pyrrolo[1,2-r][1,2,6,9,12,15,18,21,24,27]dithiaoctaazacyclodotriacontin-17-yl]-3-(2-naphthyl)-L-alaninamid [German] [ACD/IUPAC Name]
L-Arginyl-L-arginyl-N-[(3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-26,29-bis(4-aminobutyl)-12-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-6,23-bis(3-carbamimidamidopropyl)-9-[3-(carbamoylamino)prop yl]-3,20-bis(4-hydroxybenzyl)-1,4,7,10,18,21,24,27,30-nonaoxotriacontahydro-1H,16H-pyrrolo[1,2-r][1,2,6,9,12,15,18,21,24,27]dithiaoctaazacyclodotriacontin-17-yl]-3-(2-naphthyl)-L-alaninamide [ACD/IUPAC Name]
L-Arginyl-L-arginyl-N-[(3S,6S,9S,12R,17R,20S,23S,26S,29R,34aS)-26,29-bis(4-aminobutyl)-12-{[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl}-6,23-bis(3-carbamimidamidopropyl)-9-[3-(carbamoylamino)prop yl]-3,20-bis(4-hydroxybenzyl)-1,4,7,10,18,21,24,27,30-nonaoxotriacontahydro-1H,16H-pyrrolo[1,2-r][1,2,6,9,12,15,18,21,24,27]dithiaoctaazacyclodotriacontin-17-yl]-3-(2-naphtyl)-L-alaninamide [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.704
Molar Refractivity: 520.3±0.5 cm3
#H bond acceptors: 50
#H bond donors: 43
#Freely Rotating Bonds: 52
#Rule of 5 Violations: 3
ACD/LogP: -8.53
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: 929 Å2
Polarizability: 206.3±0.5 10-24cm3
Surface Tension: 72.6±7.0 dyne/cm
Molar Volume: 1339.8±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement