ChemSpider 2D Image | L-Asparaginyl-N~5~-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-L-phenylalanylglycyl-L-leucine | C57H84N16O13

L-Asparaginyl-N5-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-L-phenylalanylglycyl-L-leucine

  • Molecular FormulaC57H84N16O13
  • Average mass1201.376 Da
  • Monoisotopic mass1200.640381 Da
  • ChemSpider ID111520

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

L-Asparaginyl-N5-(diaminomethylen)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-L-phenylalanylglycyl-L-leucin [German] [ACD/IUPAC Name]
L-Asparaginyl-N5-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-L-phenylalanylglycyl-L-leucine [ACD/IUPAC Name]
L-Asparaginyl-N5-(diaminométhylène)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-L-phénylalanylglycyl-L-leucine [French] [ACD/IUPAC Name]
L-Leucine, L-asparaginyl-N5-(diaminomethylene)-L-ornithyl-L-valyl-L-tyrosyl-L-valyl-L-histidyl-L-prolyl-L-phenylalanylglycyl- [ACD/Index Name]
(2S)-2-{2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-AMINO-3-CARBAMOYLPROPANAMIDO]-5-[(DIAMINOMETHYLIDENE)AMINO]PENTANAMIDO]-3-METHYLBUTANAMIDO]-3-(4-HYDROXYPHENYL)PROPANAMIDO]-3-METHYLBUTANAMIDO]-3-(3H-IMIDAZOL-4-YL)PROPANOYL]PYRROLIDIN-2-YL]FORMAMIDO}-3-PHENYLPROPANAMIDO]ACETAMIDO}-4-METHYLPENTANOIC ACID
1-Asn-5-val-9-gly-angiotensin I
95211-04-4 [RN]
Angiotensin I, 1-L-aspargagine-5-L-valine-9-glycine-
Angiotensin I, asn(1)-val(5)-gly(9)-
Angiotensin I, asparaginyl(1)-valyl(5)-glycine(9)-
More...

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: 1.660
Molar Refractivity: 310.2±0.5 cm3
#H bond acceptors: 29
#H bond donors: 19
#Freely Rotating Bonds: 34
#Rule of 5 Violations: 3
ACD/LogP: 1.75
ACD/LogD (pH 5.5): -5.16
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 473 Å2
Polarizability: 123.0±0.5 10-24cm3
Surface Tension: 60.7±7.0 dyne/cm
Molar Volume: 840.1±7.0 cm3

Click to predict properties on the Chemicalize site


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