ChemSpider 2D Image | L-Threonyl-L-prolyl-N~5~-(diaminomethylene)-L-ornithyl-L-lysine | C21H40N8O6

L-Threonyl-L-prolyl-N5-(diaminomethylene)-L-ornithyl-L-lysine

  • Molecular FormulaC21H40N8O6
  • Average mass500.592 Da
  • Monoisotopic mass500.307068 Da
  • ChemSpider ID149956
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

L-Lysine, L-threonyl-L-prolyl-N5-(diaminomethylene)-L-ornithyl- [ACD/Index Name]
L-Threonyl-L-prolyl-N5-(diaminomethylen)-L-ornithyl-L-lysin [German] [ACD/IUPAC Name]
L-Threonyl-L-prolyl-N5-(diaminomethylene)-L-ornithyl-L-lysine [ACD/IUPAC Name]
L-Thréonyl-L-prolyl-N5-(diaminométhylène)-L-ornithyl-L-lysine [French] [ACD/IUPAC Name]
H-THR-pro-arg-LYS-oh
(2S)-6-AMINO-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-AMINO-3-HYDROXYBUTANOYL]PYRROLIDIN-2-YL]FORMAMIDO}-5-[(DIAMINOMETHYLIDENE)AMINO]PENTANAMIDO]HEXANOIC ACID
(2S)-6-amino-2-[(2S)-2-{[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]hexanoic acid
(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
56767-30-7 [RN]
Contraceptive tetrapeptide
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

EPA Pesticide Chemical Code 079011 [DBID]

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: 1.648
Molar Refractivity: 122.5±0.5 cm3
#H bond acceptors: 14
#H bond donors: 12
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -2.03
ACD/LogD (pH 5.5): -7.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 252 Å2
Polarizability: 48.6±0.5 10-24cm3
Surface Tension: 65.9±7.0 dyne/cm
Molar Volume: 336.6±7.0 cm3

Click to predict properties on the Chemicalize site






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