ChemSpider 2D Image | 1-[(2-{2-[18-(2-Amino-2-oxoethyl)-35-[hydroxy(phenyl)methyl]-25-isopropyl-21-methyl-16,23,30,33-tetraoxo-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.1~2,5~.1~12,15~.1 ~19,22~.1~26,29~.0~6,11~]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}-4,5-dihydro-1,3-oxazol-4-yl)carbonyl]prolinamide | C53H49N15O9S6

1-[(2-{2-[18-(2-Amino-2-oxoethyl)-35-[hydroxy(phenyl)methyl]-25-isopropyl-21-methyl-16,23,30,33-tetraoxo-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.12,5.112,15.1 19,22.126,29.06,11]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}-4,5-dihydro-1,3-oxazol-4-yl)carbonyl]prolinamide

  • Molecular FormulaC53H49N15O9S6
  • Average mass1232.441 Da
  • Monoisotopic mass1231.216187 Da
  • ChemSpider ID17302051

More details:

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

1-[(2-{2-[18-(2-Amino-2-oxoethyl)-35-[hydroxy(phenyl)methyl]-25-isopropyl-21-methyl-16,23,30,33-tetraoxo-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.12,5.112,15.1 19,22.126,29.06,11]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}-4,5-dihydro-1,3-oxazol-4-yl)carbonyl]prolinamid [German] [ACD/IUPAC Name]
1-[(2-{2-[18-(2-Amino-2-oxoethyl)-35-[hydroxy(phenyl)methyl]-25-isopropyl-21-methyl-16,23,30,33-tetraoxo-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decaazaheptacyclo[34.2.1.12,5.112,15.1 19,22.126,29.06,11]tritetraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl}-4,5-dihydro-1,3-oxazol-4-yl)carbonyl]prolinamide [ACD/IUPAC Name]
1-[(2-{2-[18-(2-Amino-2-oxoéthyl)-35-[hydroxy(phényl)méthyl]-25-isopropyl-21-méthyl-16,23,30,33-tétraoxo-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-décaazaheptacyclo[34.2.1.12,5.112,15.1 19,22.126,29.06,11]tritétraconta-1(38),2(43),4,6,8,10,12(42),14,19(41),21,26(40),28,36(39)-tridécaén-8-yl]-1,3-thiazol-4-yl}-4,5-dihydro-1,3-oxazol-4-yl)carbonyl]prolinamide [French] [ACD/IUPAC Name]
GE2270 D1

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.874
Molar Refractivity: 317.7±0.5 cm3
#H bond acceptors: 24
#H bond donors: 9
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.21
ACD/KOC (pH 5.5): 80.17
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.21
ACD/KOC (pH 7.4): 80.17
Polar Surface Area: 524 Å2
Polarizability: 126.0±0.5 10-24cm3
Surface Tension: 85.9±7.0 dyne/cm
Molar Volume: 697.3±7.0 cm3

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