ChemSpider 2D Image | N~5~-(Diaminomethylene)-L-ornithyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-threonyl-L-prolyl-L-leucyl-N~5~-(diaminomethylene)-L-ornithine | C48H77N15O11

N5-(Diaminomethylene)-L-ornithyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-threonyl-L-prolyl-L-leucyl-N5-(diaminomethylene)-L-ornithine

  • Molecular FormulaC48H77N15O11
  • Average mass1040.219 Da
  • Monoisotopic mass1039.592651 Da
  • ChemSpider ID2339537

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

L-Ornithine, N5-(diaminomethylene)-L-ornithyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-threonyl-L-prolyl-L-leucyl-N5-(diaminomethylene)- [ACD/Index Name]
N5-(Diaminomethylen)-L-ornithyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-threonyl-L-prolyl-L-leucyl-N5-(diaminomethylen)-L-ornithin [German] [ACD/IUPAC Name]
N5-(Diaminomethylene)-L-ornithyl-L-prolyl-L-prolylglycyl-L-phenylalanyl-L-threonyl-L-prolyl-L-leucyl-N5-(diaminomethylene)-L-ornithine [ACD/IUPAC Name]
N5-(Diaminométhylène)-L-ornithyl-L-prolyl-L-prolylglycyl-L-phénylalanyl-L-thréonyl-L-prolyl-L-leucyl-N5-(diaminométhylène)-L-ornithine [French] [ACD/IUPAC Name]
(2S)-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-(2-{[(2S)-1-[(2S)-1-[(2S)-2-AMINO-5-[(DIAMINOMETHYLIDENE)AMINO]PENTANOYL]PYRROLIDINE-2-CARBONYL]PYRROLIDIN-2-YL]FORMAMIDO}ACETAMIDO)-3-PHENYLPROPANAMIDO]-3-HYDROXYBUTANOYL]PYRROLIDIN-2-YL]FORMAMIDO}-4-METHYLPENTANAMIDO]-5-[(DIAMINOMETHYLIDENE)AMINO]PENTANOIC ACID
(2S)-2-[(Z)-[(2S)-2-[(Z)-{[(2S)-1-[(2S,3R)-2-[(Z)-[(2S)-2-[(Z)-{2-[(Z)-{[(2S)-1-[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl](hydroxy)methylidene}amino]-1-hy
(2S)-2-[(Z)-[(2S)-2-[(Z)-{[(2S)-1-[(2S,3R)-2-[(Z)-[(2S)-2-[(Z)-{2-[(Z)-{[(2S)-1-[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl](hydroxy)methylidene}amino]-1-hydroxyethylidene}amino]-1-hydroxy-3-phenylpropylidene]am
(2S)-2-[(Z)-[(2S)-2-[(Z)-{[(2S)-1-[(2S,3R)-2-[(Z)-[(2S)-2-[(Z)-{2-[(Z)-{[(2S)-1-[(2S)-1-[(2S)-2-amino-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]pyrrolidin-2-yl](hydroxy)methylidene}amino]-1-hydroxyethylidene}amino]-1-hydroxy-3-phenylpropylidene]amino]-3-hydroxybutanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino]-1-hydroxy-4-methylpentylidene]amino]-5-carbamimidamidopentanoic acid
14042-92-3 [RN]
6-L-Threonine-8-L-leucinebradykinin
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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: 1.677
Molar Refractivity: 265.2±0.5 cm3
#H bond acceptors: 26
#H bond donors: 17
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 3
ACD/LogP: 0.10
ACD/LogD (pH 5.5): -5.90
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.39
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 419 Å2
Polarizability: 105.1±0.5 10-24cm3
Surface Tension: 65.7±7.0 dyne/cm
Molar Volume: 704.1±7.0 cm3

Click to predict properties on the Chemicalize site


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