ChemSpider 2D Image | N-[(2S)-2-{[L-alpha-Aspartyl-N~5~-(diaminomethylene)-L-ornithyl-L-valyl]amino}-2-(4-hydroxyphenyl)acetyl]-L-isoleucyl-L-histidyl-L-prolyl-N-[(2S,5R)-5-acetyl-4-amino-1-(1H-imidazol-5-yl)-7-methyl-3-ox o-2-octanyl]-L-phenylalaninamide | C63H91N17O13

N-[(2S)-2-{[L-α-Aspartyl-N5-(diaminomethylene)-L-ornithyl-L-valyl]amino}-2-(4-hydroxyphenyl)acetyl]-L-isoleucyl-L-histidyl-L-prolyl-N-[(2S,5R)-5-acetyl-4-amino-1-(1H-imidazol-5-yl)-7-methyl-3-ox o-2-octanyl]-L-phenylalaninamide

  • Molecular FormulaC63H91N17O13
  • Average mass1294.503 Da
  • Monoisotopic mass1293.698242 Da
  • ChemSpider ID4575333

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

L-Phenylalaninamide, N-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxy-1-oxopropyl]amino]-5-[(diaminomethylene)amino]-1-oxopentyl]amino]-3-methyl-1-oxobutyl]amino]-2-(4-hydroxyphenyl)acetyl]-L-isol eucyl-L-histidyl-L-prolyl-N-[(1S,4R)-4-acetyl-3-amino-1-(1H-imidazol-5-ylmethyl)-6-methyl-2-oxoheptyl]- [ACD/Index Name]
N-[(2S)-2-{[L-α-Asparagyl-N5-(diaminomethylen)-L-ornithyl-L-valyl]amino}-2-(4-hydroxyphenyl)acetyl]-L-isoleucyl-L-histidyl-L-prolyl-N-[(2S,5R)-5-acetyl-4-amino-1-(1H-imidazol-5-yl)-7-methyl-3-ox ; o-2-octanyl]-L-phenylalaninamid [German] [ACD/IUPAC Name]
N-[(2S)-2-{[L-α-Aspartyl-N5-(diaminomethylene)-L-ornithyl-L-valyl]amino}-2-(4-hydroxyphenyl)acetyl]-L-isoleucyl-L-histidyl-L-prolyl-N-[(2S,5R)-5-acetyl-4-amino-1-(1H-imidazol-5-yl)-7-methyl-3-ox ; o-2-octanyl]-L-phenylalaninamide [ACD/IUPAC Name]
N-[(2S)-2-{[L-α-Aspartyl-N5-(diaminométhylène)-L-ornithyl-L-valyl]amino}-2-(4-hydroxyphényl)acétyl]-L-isoleucyl-L-histidyl-L-prolyl-N-[(2S,5R)-5-acétyl-4-amino-1-(1H-imidazol-5-yl)-7-méthyl-3-ox ; o-2-octanyl]-L-phénylalaninamide [French] [ACD/IUPAC Name]
9041-90-1 [RN]
Angiotensin I
Angiotonin

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

C00873 [DBID]

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: 1.665
Molar Refractivity: 338.2±0.5 cm3
#H bond acceptors: 30
#H bond donors: 19
#Freely Rotating Bonds: 37
#Rule of 5 Violations: 3
ACD/LogP: 4.09
ACD/LogD (pH 5.5): -5.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 489 Å2
Polarizability: 134.1±0.5 10-24cm3
Surface Tension: 59.8±7.0 dyne/cm
Molar Volume: 911.1±7.0 cm3

Click to predict properties on the Chemicalize site


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