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Search term: KNGLZBYFVBOFMQ-IARZGTGTSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (8S,11R,12S)-N~12~-Hydroxy-11-{[2'-(methylsulfonyl)-4-biphenylyl]methyl}-N~8~-[2-(4-morpholinyl)-2-oxoethyl]-2,10-dioxo-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide | C34H45N5O10S

(8S,11R,12S)-N12-Hydroxy-11-{[2'-(methylsulfonyl)-4-biphenylyl]methyl}-N8-[2-(4-morpholinyl)-2-oxoethyl]-2,10-dioxo-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide

  • Molecular FormulaC34H45N5O10S
  • Average mass715.814 Da
  • Monoisotopic mass715.288696 Da
  • ChemSpider ID9236710

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(8S,11R,12S)-N12-Hydroxy-11-{[2'-(methylsulfonyl)-4-biphenylyl]methyl}-N8-[2-(4-morpholinyl)-2-oxoethyl]-2,10-dioxo-1-oxa-3,9-diazacyclopentadecan-8,12-dicarboxamid [German] [ACD/IUPAC Name]
(8S,11R,12S)-N12-Hydroxy-11-{[2'-(methylsulfonyl)-4-biphenylyl]methyl}-N8-[2-(4-morpholinyl)-2-oxoethyl]-2,10-dioxo-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide [ACD/IUPAC Name]
(8S,11R,12S)-N12-Hydroxy-11-{[2'-(méthylsulfonyl)-4-biphénylyl]méthyl}-N8-[2-(4-morpholinyl)-2-oxoéthyl]-2,10-dioxo-1-oxa-3,9-diazacyclopentadécane-8,12-dicarboxamide [French] [ACD/IUPAC Name]
(8S,11R,12S)-N12-hydroxy-11-{[2'-(methylsulfonyl)biphenyl-4-yl]methyl}-N8-[2-(morpholin-4-yl)-2-oxoethyl]-2,10-dioxo-1-oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide
1-Oxa-3,9-diazacyclopentadecane-8,12-dicarboxamide, N12-hydroxy-11-[[2'-(methylsulfonyl)[1,1'-biphenyl]-4-yl]methyl]-N8-[2-(4-morpholinyl)-2-oxoethyl]-2,10-dioxo-, (8S,11R,12S)- [ACD/Index Name]
11-(2'-Methanesulfonyl-biphenyl-4-ylmethyl)-2,10-dioxo-1-oxa-3,9-diaza-cyclopentadecane-8,12-dicarboxylic acid 12-hydroxyamide 8-[(2-morpholin-4-yl-2-oxo-ethyl)-amide]
CHEMBL324549

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: 1.560
Molar Refractivity: 182.1±0.4 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.16
ACD/LogD (pH 5.5): 0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 25.09
ACD/LogD (pH 7.4): 0.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.68
Polar Surface Area: 218 Å2
Polarizability: 72.2±0.5 10-24cm3
Surface Tension: 49.3±3.0 dyne/cm
Molar Volume: 563.5±3.0 cm3

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