ChemSpider 2D Image | Teixobactin | C58H95N15O15

Teixobactin

  • Molecular FormulaC58H95N15O15
  • Average mass1242.466 Da
  • Monoisotopic mass1241.713257 Da
  • ChemSpider ID32786764

  • defined stereocentres - 17 of 17 defined stereocentres

More details:

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

1613225-53-8 [RN]
LC730GUE72
L-Serinamide, N-methyl-D-phenylalanyl-L-isoleucyl-L-seryl-D-glutaminyl-D-alloisoleucyl-L-isoleucyl-N-[(3S,6S,9S,12R,13S)-6-[[(4S)-2-imino-4-imidazolidinyl]methyl]-9,13-dimethyl-3-[(1S)-1-methylpropyl] -2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]- [ACD/Index Name]
N-Methyl-D-phenylalanyl-L-isoleucyl-L-seryl-D-glutaminyl-D-alloisoleucyl-L-isoleucyl-N-{(3S,6S,9S,12R,13S)-6-{[(4S)-2-amino-4,5-dihydro-1H-imidazol-4-yl]methyl}-3-[(2S)-2-butanyl]-9,13-dimethyl-2,5,8, 11-tetraoxo-1-oxa-4,7,10-triazacyclotridecan-12-yl}-L-serinamid [German] [ACD/IUPAC Name]
N-Methyl-D-phenylalanyl-L-isoleucyl-L-seryl-D-glutaminyl-D-alloisoleucyl-L-isoleucyl-N-{(3S,6S,9S,12R,13S)-6-{[(4S)-2-amino-4,5-dihydro-1H-imidazol-4-yl]methyl}-3-[(2S)-2-butanyl]-9,13-dimethyl-2,5,8, 11-tetraoxo-1-oxa-4,7,10-triazacyclotridecan-12-yl}-L-serinamide [ACD/IUPAC Name]
N-Méthyl-D-phénylalanyl-L-isoleucyl-L-séryl-D-glutaminyl-D-alloisoleucyl-L-isoleucyl-N-{(3S,6S,9S,12R,13S)-6-{[(4S)-2-amino-4,5-dihydro-1H-imidazol-4-yl]méthyl}-3-[(2S)-2-butanyl]-9,13-diméthyl-2,5,8, 11-tétraoxo-1-oxa-4,7,10-triazacyclotridécan-12-yl}-L-sérinamide [French] [ACD/IUPAC Name]
Teixobactin [Wiki]
UNII:LC730GUE72
(2R)-N-[(2R,3S)-1-[[(2S,3S)-1-[[(2S)-1-[[(3S,9S,12R,13S)-6-[[(5S)-2-amino-4,5-dihydro-1H-imidazol-5-yl]methyl]-3-[(2S)-butan-2-yl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa-4,7,10-triazacyclotridec-12-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-2-[[(2S)-3-hydroxy-2-[[(2S,3S)-3-methyl-2-[[(2R)-2-(methylamino)-3-phenylpropanoyl]amino]pentanoyl]amino]propanoyl]amino]pentanediamide
Me-D-Phe-Ile-Ser-D-Gln-D-aIle-Ile-Ser-D-Thr(1)-Ala-DL-Arg-Ile-(1)
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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: 1.632
Molar Refractivity: 317.0±0.5 cm3
#H bond acceptors: 30
#H bond donors: 18
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 3
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -5.28
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.98
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 461 Å2
Polarizability: 125.7±0.5 10-24cm3
Surface Tension: 54.6±7.0 dyne/cm
Molar Volume: 889.0±7.0 cm3

Click to predict properties on the Chemicalize site


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