ChemSpider 2D Image | koshikamide A2 | C72H112N16O16

koshikamide A2

  • Molecular FormulaC72H112N16O16
  • Average mass1457.757 Da
  • Monoisotopic mass1456.844238 Da
  • ChemSpider ID10480800

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

koshikamide A2
L-Arginine, N-(2-methoxyacetyl)-D-phenylalanyl-N-methyl-L-valyl-N2-methyl-L-asparaginyl-N-methyl-L-alloisoleucyl-N-methyl-L-valyl-N-methyl-L-leucyl-L-asparaginyl-D-phenylalanyl-L-prolyl-L-prolyl- [ACD/Index Name]
L-valinamide, (E)-N-(1-hydroxy-2-methoxyethylidene)-D-phenylalanyl-N-methyl-L-valyl-4-imino-N-methyl-L-homoseryl-N-methyl-L-alloisoleucyl-N-[(1S)-1-[(Z)-[[(1S)-1-[(Z)-[[(1R)-2-[(2S)-2-[[(2S)-2-[(Z)-[[(1S)-4-[(aminoiminomethyl)amino]-1-carboxybutyl]imino]hydroxymethyl]-1-pyrrolidinyl]carbonyl]-1-pyrrolidinyl]-2-oxo-1-(phenylmethyl)ethyl]imino]hydroxymethyl]-3-hydroxy-3-iminopropyl]imino]hydroxymethyl]-3-methylbutyl]-N,N2-dimethyl-
N-(2-Méthoxyacétyl)-D-phénylalanyl-N-méthyl-L-valyl-N2-méthyl-L-asparaginyl-N-méthyl-L-alloisoleucyl-N-méthyl-L-valyl-N-méthyl-L-leucyl-L-asparaginyl-D-phénylalanyl-L-prolyl-L-prolyl-L-arginine [French] [ACD/IUPAC Name]
N-(Methoxyacetyl)-D-phenylalanyl-N-methyl-L-valyl-N2-methyl-L-asparaginyl-N-methyl-L-alloisoleucyl-N-methyl-L-valyl-N-methyl-L-leucyl-L-asparaginyl-D-phenylalanyl-L-prolyl-L-prolyl-L-arginin [German] [ACD/IUPAC Name]
N-(Methoxyacetyl)-D-phenylalanyl-N-methyl-L-valyl-N2-methyl-L-asparaginyl-N-methyl-L-alloisoleucyl-N-methyl-L-valyl-N-methyl-L-leucyl-L-asparaginyl-D-phenylalanyl-L-prolyl-L-prolyl-L-arginine [ACD/IUPAC Name]
N-(methoxyacetyl)-D-phenylalanyl-N-methyl-L-valyl-N(2)-methyl-L-asparaginyl-N-methyl-L-alloisoleucyl-N-methyl-L-valyl-N-methyl-L-leucyl-L-asparaginyl-D-phenylalanyl-L-prolyl-L-prolyl-L-arginine

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: 1.613
Molar Refractivity: 386.4±0.5 cm3
#H bond acceptors: 32
#H bond donors: 13
#Freely Rotating Bonds: 41
#Rule of 5 Violations: 3
ACD/LogP: 3.48
ACD/LogD (pH 5.5): -1.20
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 453 Å2
Polarizability: 153.2±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 1110.0±7.0 cm3

Click to predict properties on the Chemicalize site


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