ChemSpider 2D Image | N-[4-Amino-1-({1-[(4-amino-1-oxo-1-{[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}-2-butanyl)amino]
-3-hydroxy-1-oxo-2-butanyl}amino)-1-oxo-2-butanyl]-6-methyloctanamide | C56H98N16O13

N-[4-Amino-1-({1-[(4-amino-1-oxo-1-{[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}-2-butanyl)amino] -3-hydroxy-1-oxo-2-butanyl}amino)-1-oxo-2-butanyl]-6-methyloctanamide

  • Molecular FormulaC56H98N16O13
  • Average mass1203.477 Da
  • Monoisotopic mass1202.749878 Da
  • ChemSpider ID4702

More details:






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

N-[4-amino-1-({1-[(4-amino-1-oxo-1-{[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}butan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl}amino)-1-oxobutan-2-yl]-6-methyloctanamide
N-[4-Amino-1-({1-[(4-amino-1-oxo-1-{[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}-2-butanyl)amino] -3-hydroxy-1-oxo-2-butanyl}amino)-1-oxo-2-butanyl]-6-methyloctanamid [German] [ACD/IUPAC Name]
N-[4-Amino-1-({1-[(4-amino-1-oxo-1-{[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}-2-butanyl)amino] -3-hydroxy-1-oxo-2-butanyl}amino)-1-oxo-2-butanyl]-6-methyloctanamide [ACD/IUPAC Name]
N-[4-Amino-1-({1-[(4-amino-1-oxo-1-{[6,9,18-tris(2-aminoéthyl)-15-benzyl-3-(1-hydroxyéthyl)-12-isobutyl-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]amino}-2-butanyl)amino] -3-hydroxy-1-oxo-2-butanyl}amino)-1-oxo-2-butanyl]-6-méthyloctanamide [French] [ACD/IUPAC Name]
Octanamide, N-[3-amino-1-[[[1-[[[3-amino-1-[[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-15-(phenylmethyl)-1,4,7,10,13,16,19-heptaazacyclotricos-21-yl] amino]carbonyl]propyl]amino]carbonyl]-2-hydroxypropyl]amino]carbonyl]propyl]-6-methyl- [ACD/Index Name]
octanamide, N-[3-amino-1-[[[1-[[[3-amino-1-[[[6,9,18-tris(2-aminoethyl)-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-15-(phenylmethyl)-1,4,7,10,13,16,19-heptaazacyclotricos-21-yl]amino]carbonyl]propyl]amino]carbonyl]-2-hydroxypropyl]amino]carbonyl]propyl]-6-methyl-
1404-26-8 [RN]
Aerosporin; Metamyxin; Polomyxin B; Poly-Rx; Polyfax; Polyxx
amoyl]-2-hydroxypropyl}carbamoyl)propyl]-6-methyloctanamide
N-[3-amino-1-({1-[(3-amino-1-{[6,9,18-tris(2-aminoethyl)-15-benzyl-3-(1-hydroxyethyl)-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricosan-21-yl]carbamoyl}propyl)carb
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

DivK1c_000732 [DBID]
KBio1_000732 [DBID]
KBio2_001597 [DBID]
KBio2_004165 [DBID]
KBio2_006733 [DBID]
KBio3_001697 [DBID]
KBioGR_000961 [DBID]
KBioSS_001597 [DBID]
NINDS_000732 [DBID]
SPBio_000359 [DBID]
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1571.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 256.3±3.0 kJ/mol
Flash Point: 904.2±34.3 °C
Index of Refraction: 1.592
Molar Refractivity: 318.6±0.4 cm3
#H bond acceptors: 29
#H bond donors: 23
#Freely Rotating Bonds: 29
#Rule of 5 Violations: 3
ACD/LogP: -2.87
ACD/LogD (pH 5.5): -11.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 491 Å2
Polarizability: 126.3±0.5 10-24cm3
Surface Tension: 67.5±5.0 dyne/cm
Molar Volume: 941.8±5.0 cm3

Click to predict properties on the Chemicalize site






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