ChemSpider 2D Image | 2-Methylalanyl-3-(4H-imidazol-4-yl)-L-alanyl-3-(2-naphthyl)alanyl-D-phenylalanyl-L-lysinamide | C38H49N9O5

2-Methylalanyl-3-(4H-imidazol-4-yl)-L-alanyl-3-(2-naphthyl)alanyl-D-phenylalanyl-L-lysinamide

  • Molecular FormulaC38H49N9O5
  • Average mass711.853 Da
  • Monoisotopic mass711.385681 Da
  • ChemSpider ID19587348

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2S,3Z,5R,6Z,8R,9E,11S,12Z)-14-Amino-2-(4-aminobutyl)-5-benzyl-4,7,10,13-tetrahydroxy-11-(4H-imidazol-4-ylmethyl)-14-methyl-8-(2-naphthylmethyl)-3,6,9,12-tetraazapentadeca-3,6,9,12-tetraen-1-imidic ac id [ACD/IUPAC Name]
(2S,3Z,5R,6Z,8R,9E,11S,12Z)-14-Amino-2-(4-aminobutyl)-5-benzyl-4,7,10,13-tetrahydroxy-11-(4H-imidazol-4-ylmethyl)-14-methyl-8-(2-naphthylmethyl)-3,6,9,12-tetraazapentadeca-3,6,9,12-tetraen-1-imidsäure [German] [ACD/IUPAC Name]
(2S,5R,8R,11S)-14-Amino-2-(4-aminobutyl)-5-benzyl-11-(4H-imidazol-4-ylmethyl)-14-methyl-8-(2-naphthylmethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecan-1-amid (non-preferred name) [German] [ACD/IUPAC Name]
(2S,5R,8R,11S)-14-Amino-2-(4-aminobutyl)-5-benzyl-11-(4H-imidazol-4-ylmethyl)-14-methyl-8-(2-naphthylmethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecan-1-amide (non-preferred name) [ACD/IUPAC Name]
(2S,5R,8R,11S)-14-Amino-2-(4-aminobutyl)-5-benzyl-11-(4H-imidazol-4-ylméthyl)-14-méthyl-8-(2-naphtylméthyl)-4,7,10,13-tétraoxo-3,6,9,12-tétraazapentadécan-1-amide (non-preferred name) [French] [ACD/IUPAC Name]
2-Methylalanyl-3-(4H-imidazol-4-yl)-L-alanyl-3-(2-naphthyl)alanyl-D-phenylalanyl-L-lysinamid [German] [ACD/IUPAC Name]
2-Methylalanyl-3-(4H-imidazol-4-yl)-L-alanyl-3-(2-naphthyl)alanyl-D-phenylalanyl-L-lysinamide [ACD/IUPAC Name]
2-Méthylalanyl-3-(4H-imidazol-4-yl)-L-alanyl-3-(2-naphtyl)alanyl-D-phénylalanyl-L-lysinamide [French] [ACD/IUPAC Name]
4H-Imidazole-4-propanimidic acid, N-[(1R,2Z)-2-[[(1R,2Z)-2-[[(1S)-5-amino-1-(hydroxyiminomethyl)pentyl]imino]-2-hydroxy-1-(phenylmethyl)ethyl]imino]-2-hydroxy-1-(2-naphthalenylmethyl)ethyl]-α-[[(1 Z)-2-amino-1-hydroxy-2-methylpropylidene]amino]-, (αS)- [ACD/Index Name]
Acide (2S,3Z,5R,6Z,8R,9E,11S,12Z)-14-amino-2-(4-aminobutyl)-5-benzyl-4,7,10,13-tétrahydroxy-11-(4H-imidazol-4-ylméthyl)-14-méthyl-8-(2-naphtylméthyl)-3,6,9,12-tétraazapentadéca-3,6,9,12-tétraén-1-imid ique [French] [ACD/IUPAC Name]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.650
    Molar Refractivity: 196.0±0.5 cm3
    #H bond acceptors: 14
    #H bond donors: 10
    #Freely Rotating Bonds: 19
    #Rule of 5 Violations: 3
    ACD/LogP: 1.94
    ACD/LogD (pH 5.5): -3.31
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -2.07
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 236 Å2
    Polarizability: 77.7±0.5 10-24cm3
    Surface Tension: 56.2±7.0 dyne/cm
    Molar Volume: 537.1±7.0 cm3

    Click to predict properties on the Chemicalize site


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