ChemSpider 2D Image | N-[({2-[(alpha-Aspartylarginyl)amino]-3-methylbutyl}amino)(4-hydroxyphenyl)acetyl]isoleucylhistidylprolyl-N-[5-acetyl-4-amino-1-(1H-imidazol-4-yl)-7-methyl-3-oxo-2-octanyl]phenylalaninamide | C63H93N17O12

N-[({2-[(α-Aspartylarginyl)amino]-3-methylbutyl}amino)(4-hydroxyphenyl)acetyl]isoleucylhistidylprolyl-N-[5-acetyl-4-amino-1-(1H-imidazol-4-yl)-7-methyl-3-oxo-2-octanyl]phenylalaninamide

  • Molecular FormulaC63H93N17O12
  • Average mass1280.519 Da
  • Monoisotopic mass1279.718994 Da
  • ChemSpider ID23150106

More details:

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

(4E,7E,13E)-15-[(E)-{[1-{2-[(E)-{[(1Z)-1-{[5-Acetyl-4-amino-1-(1H-imidazol-5-yl)-7-methyl-3-oxo-2-octanyl]imino}-1-hydroxy-3-phenyl-2-propanyl]imino}(hydroxy)methyl]-1-pyrrolidinyl}-3-(1H-imidazol-5-y l)-1-oxo-2-propanyl]imino}(hydroxy)methyl]-3-amino-6-(3-carbamimidamidopropyl)-4,7,13-trihydroxy-12-(4-hydroxyphenyl)-9-isopropyl-16-methyl-5,8,11,14-tetraazaoctadeca-4,7,13-trien-1-oic acid [ACD/IUPAC Name]
(4E,7E,13E)-15-[(E)-{[1-{2-[(E)-{[(1Z)-1-{[5-Acetyl-4-amino-1-(1H-imidazol-5-yl)-7-methyl-3-oxo-2-octanyl]imino}-1-hydroxy-3-phenyl-2-propanyl]imino}(hydroxy)methyl]-1-pyrrolidinyl}-3-(1H-imidazol-5-y l)-1-oxo-2-propanyl]imino}(hydroxy)methyl]-3-amino-6-(3-carbamimidamidopropyl)-4,7,13-trihydroxy-12-(4-hydroxyphenyl)-9-isopropyl-16-methyl-5,8,11,14-tetraazaoctadeca-4,7,13-trien-1-säure [German] [ACD/IUPAC Name]
3,6,9,12,15-Pentaazanonadeca-3,6,12,15-tetraen-19-oic acid, 1-[2-[(E)-[[(2Z)-2-[[4-acetyl-3-amino-1-(1H-imidazol-5-ylmethyl)-6-methyl-2-oxoheptyl]imino]-2-hydroxy-1-(phenylmethyl)ethyl]imino]hydroxyme thyl]-1-pyrrolidinyl]-17-amino-14-[3-[(aminoiminomethyl)amino]propyl]-4,7,13,16-tetrahydroxy-8-(4-hydroxyphenyl)-2-(1H-imidazol-5-ylmethyl)-11-(1-methylethyl)-5-(1-methylpropyl)-1-oxo-, (3E,6E,12E,15E )- [ACD/Index Name]
Acide (4E,7E,13E)-15-[(E)-{[1-{2-[(E)-{[(1Z)-1-{[5-acétyl-4-amino-1-(1H-imidazol-5-yl)-7-méthyl-3-oxo-2-octanyl]imino}-1-hydroxy-3-phényl-2-propanyl]imino}(hydroxy)méthyl]-1-pyrrolidinyl}-3-(1H-imidaz ol-5-yl)-1-oxo-2-propanyl]imino}(hydroxy)méthyl]-3-amino-6-(3-carbamimidamidopropyl)-4,7,13-trihydroxy-12-(4-hydroxyphényl)-9-isopropyl-16-méthyl-5,8,11,14-tétraazaoctadéca-4,7,13-trién-1-oïque [French] [ACD/IUPAC Name]
N-[({2-[(α-Asparagylarginyl)amino]-3-methylbutyl}amino)(4-hydroxyphenyl)acetyl]isoleucylhistidylprolyl-N-[5-acetyl-4-amino-1-(1H-imidazol-4-yl)-7-methyl-3-oxo-2-octanyl]phenylalaninamid [German] [ACD/IUPAC Name]
N-[({2-[(α-Aspartylarginyl)amino]-3-methylbutyl}amino)(4-hydroxyphenyl)acetyl]isoleucylhistidylprolyl-N-[5-acetyl-4-amino-1-(1H-imidazol-4-yl)-7-methyl-3-oxo-2-octanyl]phenylalaninamide [ACD/IUPAC Name]
N-[2-({2-[(α-Aspartylarginyl)amino]-3-méthylbutyl}amino)-2-(4-hydroxyphényl)acétyl]isoleucylhistidylprolyl-N-[5-acétyl-4-amino-1-(1H-imidazol-4-yl)-7-méthyl-3-oxo-2-octanyl]phénylalaninamide [French] [ACD/IUPAC Name]
Phenylalaninamide, N-[2-[[2-[[2-[(2-amino-3-carboxy-1-oxopropyl)amino]-5-[(diaminomethylene)amino]-1-oxopentyl]amino]-3-methylbutyl]amino]-2-(4-hydroxyphenyl)acetyl]isoleucylhistidylprolyl-N-[4-acetyl -3-amino-1-(1H-imidazol-4-ylmethyl)-6-methyl-2-oxoheptyl]- [ACD/Index Name]
3-amino-3-({1-[(1-{[({1-[(1-{2-[(1-{[4-amino-1-(1H-imidazol-4-yl)-5-(2-methylpropyl)-3,6-dioxoheptan-2-yl]carbamoyl}-2-phenylethyl)carbamoyl]pyrrolidin-1-yl}-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl)carbamoyl]-2-methylbutyl}carbamoyl)(4-hydroxyphenyl)methyl]amino}-3-methylbutan-2-yl)carbamoyl]-4-[(diaminomethylidene)amino]butyl}carbamoyl)propanoic acid
ang I
More...

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: 1.660
Molar Refractivity: 337.4±0.5 cm3
#H bond acceptors: 29
#H bond donors: 19
#Freely Rotating Bonds: 38
#Rule of 5 Violations: 3
ACD/LogP: 4.46
ACD/LogD (pH 5.5): -6.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.72
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 472 Å2
Polarizability: 133.7±0.5 10-24cm3
Surface Tension: 58.5±7.0 dyne/cm
Molar Volume: 914.0±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement