Found 1 result

Search term: 2301530 (Found by CSID)
ChemSpider 2D Image | N-{[1-{[1-({(Z)-[5-(2,4-Dioxotetrahydro-1(2H)-pyrimidinyl)-4-hydroxydihydro-2(3H)-furanylidene]methyl}amino)-3-{[(6-hydroxy-1-methyl-1,2,3,4-tetrahydro-3-isoquinolinyl)carbonyl](methyl)amino}-1-oxo-2- butanyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamoyl}-3-hydroxyphenylalanine | C40H52N8O12S

N-{[1-{[1-({(Z)-[5-(2,4-Dioxotetrahydro-1(2H)-pyrimidinyl)-4-hydroxydihydro-2(3H)-furanylidene]methyl}amino)-3-{[(6-hydroxy-1-methyl-1,2,3,4-tetrahydro-3-isoquinolinyl)carbonyl](methyl)amino}-1-oxo-2- butanyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamoyl}-3-hydroxyphenylalanine

  • Molecular FormulaC40H52N8O12S
  • Average mass868.952 Da
  • Monoisotopic mass868.342529 Da
  • ChemSpider ID2301530

  • Double-bond stereo - Double-bond stereo

More details:

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

N-{[1-{[1-({(Z)-[5-(2,4-Dioxotetrahydro-1(2H)-pyrimidinyl)-4-hydroxydihydro-2(3H)-furanyliden]methyl}amino)-3-{[(6-hydroxy-1-methyl-1,2,3,4-tetrahydro-3-isochinolinyl)carbonyl](methyl)amino}-1-oxo-2-b utanyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamoyl}-3-hydroxyphenylalanin [German] [ACD/IUPAC Name]
N-{[1-{[1-({(Z)-[5-(2,4-Dioxotétrahydro-1(2H)-pyrimidinyl)-4-hydroxydihydro-2(3H)-furanylidène]méthyl}amino)-3-{[(6-hydroxy-1-méthyl-1,2,3,4-tétrahydro-3-isoquinoléinyl)carbonyl](méthyl)amino}-1-oxo-2 -butanyl]amino}-4-(méthylsulfanyl)-1-oxo-2-butanyl]carbamoyl}-3-hydroxyphénylalanine [French] [ACD/IUPAC Name]
N-{[1-{[1-({(Z)-[5-(2,4-Dioxotetrahydro-1(2H)-pyrimidinyl)-4-hydroxydihydro-2(3H)-furanylidene]methyl}amino)-3-{[(6-hydroxy-1-methyl-1,2,3,4-tetrahydro-3-isoquinolinyl)carbonyl](methyl)amino}-1-oxo-2- butanyl]amino}-4-(methylsulfanyl)-1-oxo-2-butanyl]carbamoyl}-3-hydroxyphenylalanine [ACD/IUPAC Name]
Phenylalanine, N-[[[1-[[[1-[[[(Z)-[dihydro-4-hydroxy-5-(tetrahydro-2,4-dioxo-1(2H)-pyrimidinyl)-2(3H)-furanylidene]methyl]amino]carbonyl]-2-[methyl[(1,2,3,4-tetrahydro-6-hydroxy-1-methyl-3-isoquinolin yl)carbonyl]amino]propyl]amino]carbonyl]-3-(methylthio)propyl]amino]carbonyl]-3-hydroxy- [ACD/Index Name]
144379-27-1 [RN]
Napsamycin D

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: 1.647
Molar Refractivity: 221.3±0.3 cm3
#H bond acceptors: 20
#H bond donors: 10
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -1.32
ACD/LogD (pH 5.5): -3.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.18
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 314 Å2
Polarizability: 87.7±0.5 10-24cm3
Surface Tension: 71.8±3.0 dyne/cm
Molar Volume: 608.8±3.0 cm3

Click to predict properties on the Chemicalize site


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