Found 106 results

Search term: MF = 'C_{31}H_{35}N_{5}O_{7}'
ChemSpider 2D Image | 3-[5-{[N-(tert-butoxycarbonyl)-L-tryptophyl]amino}-1,3-dioxohexahydro-1H-pyrido[1,2-c]pyrimidin-2(3H)-yl]benzoic acid | C31H35N5O7

3-[5-{[N-(tert-butoxycarbonyl)-L-tryptophyl]amino}-1,3-dioxohexahydro-1H-pyrido[1,2-c]pyrimidin-2(3H)-yl]benzoic acid

  • Molecular FormulaC31H35N5O7
  • Average mass589.639 Da
  • Monoisotopic mass589.253662 Da
  • ChemSpider ID9181638

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

3-[5-{[N-(tert-butoxycarbonyl)-L-tryptophyl]amino}-1,3-dioxohexahydro-1H-pyrido[1,2-c]pyrimidin-2(3H)-yl]benzoic acid
3-{5-[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-tryptophyl)amino]-1,3-dioxohexahydro-1H-pyrido[1,2-c]pyrimidin-2(3H)-yl}benzoesäure [German] [ACD/IUPAC Name]
3-{5-[(N-{[(2-Methyl-2-propanyl)oxy]carbonyl}-L-tryptophyl)amino]-1,3-dioxohexahydro-1H-pyrido[1,2-c]pyrimidin-2(3H)-yl}benzoic acid [ACD/IUPAC Name]
Acide 3-{5-[(N-{[(2-méthyl-2-propanyl)oxy]carbonyl}-L-tryptophyl)amino]-1,3-dioxohexahydro-1H-pyrido[1,2-c]pyrimidin-2(3H)-yl}benzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3-[5-[[(2S)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]hexahydro-1,3-dioxo-1H-pyrido[1,2-c]pyrimidin-2(3H)-yl]- [ACD/Index Name]
3-{5-[2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propionylamino]-1,3-dioxo-hexahydro-pyrido[1,2-c]pyrimidin-2-yl}-benzoic acid
CHEMBL265322
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL265322/

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: 1.671
Molar Refractivity: 156.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 4.70
ACD/KOC (pH 5.5): 41.39
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.32
Polar Surface Area: 161 Å2
Polarizability: 62.0±0.5 10-24cm3
Surface Tension: 74.1±5.0 dyne/cm
Molar Volume: 418.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement