ChemSpider 2D Image | N-Methyl-D-phenylalanyl-L-isoleucyl-L-seryl-D-glutaminyl-D-alloisoleucyl-L-isoleucyl-N-{(3S,6S,9S,12R,13S)-3-[(2S)-2-butanyl]-6-[(2-imino-4-imidazolidinyl)methyl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa
-4,7,10-triazacyclotridecan-12-yl}-L-serinamide | C58H95N15O15

N-Methyl-D-phenylalanyl-L-isoleucyl-L-seryl-D-glutaminyl-D-alloisoleucyl-L-isoleucyl-N-{(3S,6S,9S,12R,13S)-3-[(2S)-2-butanyl]-6-[(2-imino-4-imidazolidinyl)methyl]-9,13-dimethyl-2,5,8,11-tetraoxo-1-oxa -4,7,10-triazacyclotridecan-12-yl}-L-serinamide

  • Molecular FormulaC58H95N15O15
  • Average mass1242.466 Da
  • Monoisotopic mass1241.713257 Da
  • ChemSpider ID58827031
  • defined stereocentres - 16 of 17 defined stereocentres


More details:






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

L-Serinamide, N-methyl-D-phenylalanyl-L-isoleucyl-L-seryl-D-glutaminyl-D-alloisoleucyl-L-isoleucyl-N-[(3S,6S,9S,12R,13S)-6-[(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)-3-[(2S)-2-butanyl]-6-[(2-imino-4-imidazolidinyl)methyl]-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)-3-[(2S)-2-butanyl]-6-[(2-imino-4-imidazolidinyl)methyl]-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)-3-[(2S)-2-butanyl]-6-[(2-imino-4-imidazolidinyl)méthyl]-9,13-diméthyl-2,5,8,11-tétraoxo-1-oxa -4,7,10-triazacyclotridécan-12-yl}-L-sérinamide [French] [ACD/IUPAC Name]
Teixobactin [Wiki]

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

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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