ChemSpider 2D Image | N-{[(2S)-1-{3-Cyclohexyl-N-[(4-{[(diaminomethylene)amino]methyl}cyclohexyl)carbonyl]-D-alanyl}-2-azetidinyl]carbonyl}-D-tyrosyl-N~6~-(diaminomethylene)-L-lysinamide | C38H61N11O6

N-{[(2S)-1-{3-Cyclohexyl-N-[(4-{[(diaminomethylene)amino]methyl}cyclohexyl)carbonyl]-D-alanyl}-2-azetidinyl]carbonyl}-D-tyrosyl-N6-(diaminomethylene)-L-lysinamide

  • Molecular FormulaC38H61N11O6
  • Average mass767.961 Da
  • Monoisotopic mass767.480652 Da
  • ChemSpider ID4450527

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

L-Lysinamide, N-[[(2S)-1-[(2R)-3-cyclohexyl-2-[[[4-[[(diaminomethylene)amino]methyl]cyclohexyl]carbonyl]amino]-1-oxopropyl]-2-azetidinyl]carbonyl]-D-tyrosyl-N6-(diaminomethylene)- [ACD/Index Name]
N-{[(2S)-1-{3-Cyclohexyl-N-[(4-{[(diaminomethylen)amino]methyl}cyclohexyl)carbonyl]-D-alanyl}-2-azetidinyl]carbonyl}-D-tyrosyl-N6-(diaminomethylen)-L-lysinamid [German] [ACD/IUPAC Name]
N-{[(2S)-1-{3-Cyclohexyl-N-[(4-{[(diaminomethylene)amino]methyl}cyclohexyl)carbonyl]-D-alanyl}-2-azetidinyl]carbonyl}-D-tyrosyl-N6-(diaminomethylene)-L-lysinamide [ACD/IUPAC Name]
N-{[(2S)-1-{3-Cyclohexyl-N-[(4-{[(diaminométhylène)amino]méthyl}cyclohexyl)carbonyl]-D-alanyl}-2-azétidinyl]carbonyl}-D-tyrosyl-N6-(diaminométhylène)-L-lysinamide [French] [ACD/IUPAC Name]
GAH
N-{[(2S)-1-(N-{[4-({[AMINO(IMINO)METHYL]AMINO}METHYL)CYCLOHEXYL]CARBONYL}-3-CYCLOHEXYL-L-ALANYL)AZETIDIN-2-YL]CARBONYL}-L-TYROSYL-N6-[AMINO(IMINO)METHYL]-L-LYSINAMIDE
TRANS-4-(GUANIDINOMETHYL)-CYCLOHEXANE-L-YL-D-3-CYCLOHEXYLALANYL-L-AZETIDINE-2-YL-D-TYROSINYL-L-HOMOARGININAMIDE

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.685
Molar Refractivity: 201.4±0.5 cm3
#H bond acceptors: 17
#H bond donors: 14
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 0.84
ACD/LogD (pH 5.5): -2.58
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 300 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 64.9±7.0 dyne/cm
Molar Volume: 530.2±7.0 cm3

Click to predict properties on the Chemicalize site


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