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Search term: NSMUITYTUDRYSP-ZWDYZTTJSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | Nalpha-Acetyl-N-{(2R)-1-[(2S,4S)-2-{3-[(diaminomethylene)amino]propyl}-4-(2-naphthylmethoxy)-1-pyrrolidinyl]-1-oxo-3-phenyl-2-propanyl}-L-histidinamide | C36H44N8O4

Nα-Acetyl-N-{(2R)-1-[(2S,4S)-2-{3-[(diaminomethylene)amino]propyl}-4-(2-naphthylmethoxy)-1-pyrrolidinyl]-1-oxo-3-phenyl-2-propanyl}-L-histidinamide

  • Molecular FormulaC36H44N8O4
  • Average mass652.786 Da
  • Monoisotopic mass652.348572 Da
  • ChemSpider ID10019924

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1H-Imidazole-5-propanamide, α-(acetylamino)-N-[(1R)-2-[(2S,4S)-2-[3-[(diaminomethylene)amino]propyl]-4-(2-naphthalenylmethoxy)-1-pyrrolidinyl]-2-oxo-1-(phenylmethyl)ethyl]-, (αS)- [ACD/Index Name]
Nα-Acetyl-N-{(2R)-1-[(2S,4S)-2-{3-[(diaminomethylen)amino]propyl}-4-(2-naphthylmethoxy)-1-pyrrolidinyl]-1-oxo-3-phenyl-2-propanyl}-L-histidinamid [German] [ACD/IUPAC Name]
Nα-Acetyl-N-{(2R)-1-[(2S,4S)-2-{3-[(diaminomethylene)amino]propyl}-4-(2-naphthylmethoxy)-1-pyrrolidinyl]-1-oxo-3-phenyl-2-propanyl}-L-histidinamide [ACD/IUPAC Name]
Nα-Acétyl-N-{(2R)-1-[(2S,4S)-2-{3-[(diaminométhylène)amino]propyl}-4-(2-naphtylméthoxy)-1-pyrrolidinyl]-1-oxo-3-phényl-2-propanyl}-L-histidinamide [French] [ACD/IUPAC Name]
Nα-acetyl-N-{(2R)-1-[(2S,4S)-2-{3-[(diaminomethylidene)amino]propyl}-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl}-L-histidinamide
(S)-2-Acetamido-N-((R)-1-((2S,4S)-2-(3-guanidinopropyl)-4-(naphthalen-2-ylmethoxy)pyrrolidin-1-yl)-1-oxo-3-phenylpropan-2-yl)-3-(1H-imidazol-4-yl)propanamide
CHEMBL377465
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL377465/

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.662
Molar Refractivity: 182.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 3.18
ACD/LogD (pH 5.5): 0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.15
ACD/LogD (pH 7.4): 1.11
ACD/BCF (pH 7.4): 1.31
ACD/KOC (pH 7.4): 10.87
Polar Surface Area: 181 Å2
Polarizability: 72.4±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 493.5±7.0 cm3

Click to predict properties on the Chemicalize site


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