Found 43 results

Search term: MF = 'C_{28}H_{32}N_{6}O_{6}S'
ChemSpider 2D Image | (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenyl{[(2E)-2-{[4-(propylamino)benzoyl]hydrazono}acetyl]amino}acetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | C28H32N6O6S

(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenyl{[(2E)-2-{[4-(propylamino)benzoyl]hydrazono}acetyl]amino}acetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

  • Molecular FormulaC28H32N6O6S
  • Average mass580.655 Da
  • Monoisotopic mass580.210388 Da
  • ChemSpider ID7862931

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenyl{[(2E)-2-{[4-(propylamino)benzoyl]hydrazono}acetyl]amino}acetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptan-2-carbonsäure [German] [ACD/IUPAC Name]
(2S,5R,6R)-3,3-Dimethyl-7-oxo-6-[(phenyl{[(2E)-2-{[4-(propylamino)benzoyl]hydrazono}acetyl]amino}acetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid [ACD/IUPAC Name]
4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-[[2-[[(2E)-1-oxo-2-[2-[4-(propylamino)benzoyl]hydrazinylidene]ethyl]amino]-2-phenylacetyl]amino]-, (2S,5R,6R)- [ACD/Index Name]
Acide (2S,5R,6R)-3,3-diméthyl-7-oxo-6-[(2-phényl-2-{[(2E)-2-{[4-(propylamino)benzoyl]hydrazono}acétyl]amino}acétyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylique [French] [ACD/IUPAC Name]
(2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-{2-PHENYL-2-[(2E)-2-({[4-(PROPYLAMINO)PHENYL]FORMAMIDO}IMINO)ACETAMIDO]ACETAMIDO}-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID
143667-46-3 [RN]
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-6-((phenyl((((4-(propylamino)benzoyl)hydrazono)acetyl)amino)acetyl)amino)-, (2S-(2-α,5-α,6-β(S*)))-

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: 153.5±0.5 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.46
ACD/LogD (pH 5.5): -0.80
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 195 Å2
Polarizability: 60.9±0.5 10-24cm3
Surface Tension: 60.3±7.0 dyne/cm
Molar Volume: 403.7±7.0 cm3

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