ChemSpider 2D Image | Nalpha-Acetyl-N-[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3,4-diphosphono-L-phenylalaninamide | C30H41N3O10P2

Nα-Acetyl-N-[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3,4-diphosphono-L-phenylalaninamide

  • Molecular FormulaC30H41N3O10P2
  • Average mass665.608 Da
  • Monoisotopic mass665.226746 Da
  • ChemSpider ID393168
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

268741-43-1 [RN]
Nα-Acetyl-N-[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3,4-diphosphono-L-phenylalaninamid [German] [ACD/IUPAC Name]
Nα-Acetyl-N-[(5S)-3-carbamoyl-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-3,4-diphosphono-L-phenylalaninamide [ACD/IUPAC Name]
Nα-Acétyl-N-[(5S)-3-carbamoyl-2-(cyclohexylméthoxy)-6,7,8,9-tétrahydro-5H-benzo[7]annulén-5-yl]-3,4-diphosphono-L-phénylalaninamide [French] [ACD/IUPAC Name]
Phosphonic acid, [4-[(2S)-2-(acetylamino)-3-[[(5S)-3-(aminocarbonyl)-2-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzocyclohepten-5-yl]amino]-3-oxopropyl]-1,2-phenylene]bis- [ACD/Index Name]
[5-[(2S)-2-acetamido-3-[[(9S)-2-aminocarbonyl-3-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-yl]amino]-3-oxo-propyl]-2-phosphono-phenyl]phosphonic acid
[5-[(2S)-2-acetamido-3-[[(9S)-2-carbamoyl-3-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-yl]amino]-3-keto-propyl]-2-phosphono-phenyl]phosphonic acid
[5-[(2S)-2-acetamido-3-[[(9S)-2-carbamoyl-3-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-yl]amino]-3-oxopropyl]-2-phosphonophenyl]phosphonic acid
[5-[(2S)-2-acetamido-3-[[(9S)-2-carbamoyl-3-(cyclohexylmethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-9-yl]amino]-3-oxo-propyl]-2-phosphono-phenyl]phosphonic acid
{4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3U3L5QR4KV [DBID]
AP-22408 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 163.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.77
ACD/LogD (pH 5.5): -3.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability: 64.7±0.5 10-24cm3
Surface Tension: 76.5±5.0 dyne/cm
Molar Volume: 459.0±5.0 cm3

Click to predict properties on the Chemicalize site






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