ChemSpider 2D Image | SP-4206 | C30H37Cl2N7O6

SP-4206

  • Molecular FormulaC30H37Cl2N7O6
  • Average mass662.564 Da
  • Monoisotopic mass661.218262 Da
  • ChemSpider ID4450452

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-Furancarboxylic acid, 5-[[4-[5-[1-[2-[[(2R)-2-[(aminoiminomethyl)amino]-4-methyl-1-oxopentyl]amino]acetyl]-4-piperidinyl]-1-methyl-1H-pyrazol-3-yl]-2,3-dichlorophenoxy]methyl]- [ACD/Index Name]
N2-[amino(iminio)methyl]-N-{2-[4-(3-{4-[(5-carboxylatofuran-2-yl)methoxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl}-D-leucinamide
N2-Carbamimidoyl-N-{2-[4-(3-{4-[(5-carboxy-2-furyl)methoxy]-2,3-dichlorophenyl}-1-methyl-1H-pyrazol-5-yl)-1-piperidinyl]-2-oxoethyl}-D-leucinamide [ACD/IUPAC Name]
N2-Carbamimidoyl-N-{2-[4-(3-{4-[(5-carboxy-2-furyl)méthoxy]-2,3-dichlorophényl}-1-méthyl-1H-pyrazol-5-yl)-1-pipéridinyl]-2-oxoéthyl}-D-leucinamide [French] [ACD/IUPAC Name]
N2-Carbamimidoyl-N-{2-[4-(3-{4-[(5-carboxy-2-furyl)methoxy]-2,3-dichlorphenyl}-1-methyl-1H-pyrazol-5-yl)-1-piperidinyl]-2-oxoethyl}-D-leucinamid [German] [ACD/IUPAC Name]
SP-4206
5-[[2,3-dichloro-4-[5-[1-[2-[[(2R)-2-(diaminomethylideneamino)-4-methylpentanoyl]amino]acetyl]piperidin-4-yl]-1-methylpyrazol-3-yl]phenoxy]methyl]furan-2-carboxylic acid
5-[2,3-Dichloro-4-(5-{1-[2-((R)-2-guanidino-4-methyl-1-oxo-pentylamino)-acetyl]-piperidin-4-yl}-1-methyl-1H-pyrazol-3-yl)-phenoxymethyl]-furan-2-carboxylic acid
5-[2,3-Dichloro-4-(5-{1-[2-((R)-2-guanidino-4-methyl-pentanoylamino)-acetyl]-piperidin-4-yl}-1-methyl-1H-pyrazol-3-yl)-phenoxymethyl]-furan-2-carboxylic acid
5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-PENTANOYLAMINO)-ACETYL]-PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL-3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID
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  • Miscellaneous

    • Chemical Class:

      A leucine derivative obtained by fpormal condensation of the secondary amino group of 5-({2,3-dichloro-4-[1-methyl-5-(piperidin-4-yl)-1<element>H</element>-pyrazol-3-yl]phenoxy}methyl)-2-furoic acid a nd the carboxy group of <element>N</element>-amidino-<stereo>L</stereo>-leucylglycine ChEBI CHEBI:47417
      A leucine derivative obtained by fpormal condensation of the secondary amino group of 5-({2,3-dichloro-4-[1-methyl-5-(piperidin-4-yl)-1H-pyrazol-3-yl]phenoxy}methyl)-2-furoic acid and the carboxy grou p of N-amidino-L-leucylglycine ChEBI CHEBI:47417

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.665
Molar Refractivity: 166.4±0.5 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 2.87
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.80
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 4.77
Polar Surface Area: 189 Å2
Polarizability: 65.9±0.5 10-24cm3
Surface Tension: 57.2±7.0 dyne/cm
Molar Volume: 447.7±7.0 cm3

Click to predict properties on the Chemicalize site


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