ChemSpider 2D Image | N-({2''''-[(1S,2S)-1-({N-[(2'-{2-[2-(2-{4-[(Diaminomethylene)amino]-1-(dimethylamino)butyl}-1,3-thiazol-4-yl)-5-methyl-1,3-oxazol-4-yl]-1,3-thiazol-4-yl}-5,5'-dimethyl-2,4'-bi-1,3-oxazol-4-yl)carbonyl ]-L-isoleucyl}amino)-2-methylbutyl]-5-methyl-4,5-dihydro-2,4':2',4'':2'',4''':2''',4''''-quinque-1,3-oxazol-4-yl}carbonyl)-L-phenylalanine | C63H69N17O13S2

N-({2''''-[(1S,2S)-1-({N-[(2'-{2-[2-(2-{4-[(Diaminomethylene)amino]-1-(dimethylamino)butyl}-1,3-thiazol-4-yl)-5-methyl-1,3-oxazol-4-yl]-1,3-thiazol-4-yl}-5,5'-dimethyl-2,4'-bi-1,3-oxazol-4-yl)carbonyl ]-L-isoleucyl}amino)-2-methylbutyl]-5-methyl-4,5-dihydro-2,4':2',4'':2'',4''':2''',4''''-quinque-1,3-oxazol-4-yl}carbonyl)-L-phenylalanine

  • Molecular FormulaC63H69N17O13S2
  • Average mass1336.458 Da
  • Monoisotopic mass1335.470215 Da
  • ChemSpider ID78445675

  • defined stereocentres - 5 of 8 defined stereocentres

More details:

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

L-Phenylalanine, N-[[2''''-[(1S,2S)-1-[[(2S,3S)-2-[[[2'-[2-[2-[2-[4-[(diaminomethylene)amino]-1-(dimethylamino)butyl]-4-thiazolyl]-5-methyl-4-oxazolyl]-4-thiazolyl]-5,5'-dimethyl[2,4'-bioxazol]-4-yl]c arbonyl]amino]-3-methyl-1-oxopentyl]amino]-2-methylbutyl]-4,5-dihydro-5-methyl[2,4':2',4'':2'',4''':2''',4''''-quinqueoxazol]-4-yl]carbonyl]- [ACD/Index Name]
N-({2''''-[(1S,2S)-1-({N-[(2'-{2-[2-(2-{4-[(Diaminomethylen)amino]-1-(dimethylamino)butyl}-1,3-thiazol-4-yl)-5-methyl-1,3-oxazol-4-yl]-1,3-thiazol-4-yl}-5,5'-dimethyl-2,4'-bi-1,3-oxazol-4-yl)carbonyl] -L-isoleucyl}amino)-2-methylbutyl]-5-methyl-4,5-dihydro-2,4':2',4'':2'',4''':2''',4''''-quinque-1,3-oxazol-4-yl}carbonyl)-L-phenylalanin [German] [ACD/IUPAC Name]
N-({2''''-[(1S,2S)-1-({N-[(2'-{2-[2-(2-{4-[(Diaminomethylene)amino]-1-(dimethylamino)butyl}-1,3-thiazol-4-yl)-5-methyl-1,3-oxazol-4-yl]-1,3-thiazol-4-yl}-5,5'-dimethyl-2,4'-bi-1,3-oxazol-4-yl)carbonyl ]-L-isoleucyl}amino)-2-methylbutyl]-5-methyl-4,5-dihydro-2,4':2',4'':2'',4''':2''',4''''-quinque-1,3-oxazol-4-yl}carbonyl)-L-phenylalanine [ACD/IUPAC Name]
N-({2''''-[(1S,2S)-1-({N-[(2'-{2-[2-(2-{4-[(Diaminométhylène)amino]-1-(diméthylamino)butyl}-1,3-thiazol-4-yl)-5-méthyl-1,3-oxazol-4-yl]-1,3-thiazol-4-yl}-5,5'-diméthyl-2,4'-bi-1,3-oxazol-4-yl)carbonyl ]-L-isoleucyl}amino)-2-méthylbutyl]-5-méthyl-4,5-dihydro-2,4':2',4'':2'',4''':2''',4''''-quinque-1,3-oxazol-4-yl}carbonyl)-L-phénylalanine [French] [ACD/IUPAC Name]
Plantazolicin [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.738
Molar Refractivity: 344.6±0.5 cm3
#H bond acceptors: 30
#H bond donors: 8
#Freely Rotating Bonds: 28
#Rule of 5 Violations: 4
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 1.64
ACD/BCF (pH 5.5): 1.65
ACD/KOC (pH 5.5): 5.63
ACD/LogD (pH 7.4): 2.40
ACD/BCF (pH 7.4): 9.42
ACD/KOC (pH 7.4): 32.04
Polar Surface Area: 478 Å2
Polarizability: 136.6±0.5 10-24cm3
Surface Tension: 63.4±7.0 dyne/cm
Molar Volume: 855.8±7.0 cm3

Click to predict properties on the Chemicalize site


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