ChemSpider 2D Image | Ang IV | C40H54N8O8

Ang IV

  • Molecular FormulaC40H54N8O8
  • Average mass774.906 Da
  • Monoisotopic mass774.406433 Da
  • ChemSpider ID110363
  • defined stereocentres - 7 of 7 defined stereocentres


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

Ang IV
Angiotensin II (3-8)
L-Phenylalanine, L-valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl- [ACD/Index Name]
L-Valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanin [German] [ACD/IUPAC Name]
L-Valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine [ACD/IUPAC Name]
L-Valyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phénylalanine [French] [ACD/IUPAC Name]
MFCD00167496
(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropa
(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid
(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-(4-hydroxyphenyl)propanamido]-3-methylpentanamido]-3-(3H-imidazol-4-yl)propanoyl]pyrrolidin-2-yl]formamido}-3-phenylpropanoic acid
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 8681 [DBID]
MLS000069773 [DBID]
SMR000058913 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1189.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 184.7±3.0 kJ/mol
Flash Point: 673.3±34.3 °C
Index of Refraction: 1.601
Molar Refractivity: 206.3±0.3 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 3.36
ACD/LogD (pH 5.5): -1.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.56
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 249 Å2
Polarizability: 81.8±0.5 10-24cm3
Surface Tension: 62.9±3.0 dyne/cm
Molar Volume: 602.5±3.0 cm3

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