ChemSpider 2D Image | N-{[1-(N-{[4-(Carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexylalanyl)-2-azetidinyl]carbonyl}tyrosyl-N~6~-carbamimidoyllysinamide | C38H61N11O6

N-{[1-(N-{[4-(Carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexylalanyl)-2-azetidinyl]carbonyl}tyrosyl-N6-carbamimidoyllysinamide

  • Molecular FormulaC38H61N11O6
  • Average mass767.961 Da
  • Monoisotopic mass767.480652 Da
  • ChemSpider ID21542364

More details:






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

Lysinamide, N-[[1-[2-[[[4-[[(aminoiminomethyl)amino]methyl]cyclohexyl]carbonyl]amino]-3-cyclohexyl-1-oxopropyl]-2-azetidinyl]carbonyl]tyrosyl-N6-(aminoiminomethyl)- [ACD/Index Name]
N-{[1-(N-{[4-(Carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexylalanyl)-2-azetidinyl]carbonyl}tyrosyl-N6-carbamimidoyllysinamid [German] [ACD/IUPAC Name]
N-{[1-(N-{[4-(Carbamimidamidomethyl)cyclohexyl]carbonyl}-3-cyclohexylalanyl)-2-azetidinyl]carbonyl}tyrosyl-N6-carbamimidoyllysinamide [ACD/IUPAC Name]
N-{[1-(N-{[4-(Carbamimidamidométhyl)cyclohexyl]carbonyl}-3-cyclohexylalanyl)-2-azétidinyl]carbonyl}tyrosyl-N6-carbamimidoyllysinamide [French] [ACD/IUPAC Name]
(1s,4s)-N-[(2R)-1-[(2S)-2-{[(1R)-1-{[(1S)-1-carbamoyl-5-[(diaminomethylidene)amino]pentyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}azetidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-{[(diaminomethyl
(1s,4s)-N-[(2R)-1-[(2S)-2-{[(1R)-1-{[(1S)-1-carbamoyl-5-[(diaminomethylidene)amino]pentyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}azetidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]-4-{[(diaminomethylidene)amino]methyl}cyclohexane-1-carboxamide
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: 21
#Rule of 5 Violations: 3
ACD/LogP: -0.17
ACD/LogD (pH 5.5): -2.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 295 Å2
Polarizability: 79.8±0.5 10-24cm3
Surface Tension: 64.9±7.0 dyne/cm
Molar Volume: 530.2±7.0 cm3

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