ChemSpider 2D Image | A Disubstituted Succinyl Caprolactam Hydroxymate Mmp3inhibitor | C20H37N3O6

A Disubstituted Succinyl Caprolactam Hydroxymate Mmp3inhibitor

  • Molecular FormulaC20H37N3O6
  • Average mass415.524 Da
  • Monoisotopic mass415.268250 Da
  • ChemSpider ID16744190

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S,3R)-N1-Hydroxy-2-(3-hydroxypropyl)-3-isobutyl-N4-[(3S)-1-(2-methoxyethyl)-2-oxo-3-azepanyl]succinamid [German] [ACD/IUPAC Name]
(2S,3R)-N1-Hydroxy-2-(3-hydroxypropyl)-3-isobutyl-N4-[(3S)-1-(2-methoxyethyl)-2-oxo-3-azepanyl]succinamide [ACD/IUPAC Name]
(2S,3R)-N1-Hydroxy-2-(3-hydroxypropyl)-3-isobutyl-N4-[(3S)-1-(2-méthoxyéthyl)-2-oxo-3-azépanyl]succinamide [French] [ACD/IUPAC Name]
A Disubstituted Succinyl Caprolactam Hydroxymate Mmp3inhibitor
Butanediamide, N4-[(3S)-hexahydro-1-(2-methoxyethyl)-2-oxo-1H-azepin-3-yl]-N1-hydroxy-2-(3-hydroxypropyl)-3-(2-methylpropyl)-, (2S,3R)- [ACD/Index Name]
(2S,3R)-N-hydroxy-2-(3-hydroxypropyl)-N'-[(3S)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-3-(2-methylpropyl)butanediamide
(2S,3R)-N-hydroxy-2-(3-hydroxypropyl)-N'-[(3S)-1-(2-methoxyethyl)-2-oxoazepan-3-yl]-3-(2-methylpropyl)succinamide
(R)-RETRO-THIORPHAN

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

RRT [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.527
Molar Refractivity: 108.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -0.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.82
ACD/LogD (pH 7.4): -0.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.66
Polar Surface Area: 128 Å2
Polarizability: 43.2±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 354.1±5.0 cm3

Click to predict properties on the Chemicalize site


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