ChemSpider 2D Image | L-Alanyl-L-seryl-L-threonyl-L-threonyl-L-threonyl-L-asparaginyl-L-tyrosyl-L-threonine | C35H55N9O16

L-Alanyl-L-seryl-L-threonyl-L-threonyl-L-threonyl-L-asparaginyl-L-tyrosyl-L-threonine

  • Molecular FormulaC35H55N9O16
  • Average mass857.862 Da
  • Monoisotopic mass857.376648 Da
  • ChemSpider ID66081
  • defined stereocentres - 12 of 12 defined stereocentres


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L-Alanyl-L-seryl-L-threonyl-L-threonyl-L-threonyl-L-asparaginyl-L-tyrosyl-L-threonin [German] [ACD/IUPAC Name]
L-Alanyl-L-seryl-L-threonyl-L-threonyl-L-threonyl-L-asparaginyl-L-tyrosyl-L-threonine [ACD/IUPAC Name]
L-Alanyl-L-séryl-L-thréonyl-L-thréonyl-L-thréonyl-L-asparaginyl-L-tyrosyl-L-thréonine [French] [ACD/IUPAC Name]
L-Threonine, L-alanyl-L-seryl-L-threonyl-L-threonyl-L-threonyl-L-asparaginyl-L-tyrosyl- [ACD/Index Name]
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acid
(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-carbamoylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-hydroxybutanoic acidCompound
106362-32-7 [RN]
Ala-Ser-Thr-Thr-Thr-Asn-Tyr-Thr
ALA-SER-THR-THR-THR-ASN-TYR-THRACETATE
L-Threonine, N-(N-(N2-(N-(N-(N-(N-L-alanyl-L-seryl)-L-thronyl)-L-threonyl)-L-threonyl)-L-asparaginyl)-L-tyrosyl)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS000530 [DBID]
AIDS-000530 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1499.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 242.0±3.0 kJ/mol
Flash Point: 860.7±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 204.0±0.3 cm3
#H bond acceptors: 25
#H bond donors: 18
#Freely Rotating Bonds: 24
#Rule of 5 Violations: 3
ACD/LogP: -3.83
ACD/LogD (pH 5.5): -7.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 431 Å2
Polarizability: 80.9±0.5 10-24cm3
Surface Tension: 71.4±3.0 dyne/cm
Molar Volume: 599.1±3.0 cm3

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