ChemSpider 2D Image | N-({(1R,9S,12R,15S,18R)-12-(2-Amino-2-oxoethyl)-15-(3-amino-3-oxopropyl)-18-[(2S)-2-butanyl]-3,11,14,17,20-pentaoxo-3',4'-dihydro-1'H-spiro[6,7-dithia-2,10,13,16,19-pentaazacycloicosane-1,2'-naphthale n]-9-yl}carbonyl)-N-methylglycyl-L-arginylglycinamide | C43H66N14O11S2

N-({(1R,9S,12R,15S,18R)-12-(2-Amino-2-oxoethyl)-15-(3-amino-3-oxopropyl)-18-[(2S)-2-butanyl]-3,11,14,17,20-pentaoxo-3',4'-dihydro-1'H-spiro[6,7-dithia-2,10,13,16,19-pentaazacycloicosane-1,2'-naphthale n]-9-yl}carbonyl)-N-methylglycyl-L-arginylglycinamide

  • Molecular FormulaC43H66N14O11S2
  • Average mass1019.201 Da
  • Monoisotopic mass1018.447693 Da
  • ChemSpider ID28511799

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

Glycinamide, N-[[(4S,7R,10S,13R,16R)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-3',4'-dihydro-13-[(1S)-1-methylpropyl]-6,9,12,15,18-pentaoxospiro[1,2-dithia-5,8,11,14,17-pentaazacycloeicosane-16, 2'(1'H)-naphthalen]-4-yl]carbonyl]-N-methylglycyl-L-arginyl- [ACD/Index Name]
N-({(1R,9S,12R,15S,18R)-12-(2-Amino-2-oxoethyl)-15-(3-amino-3-oxopropyl)-18-[(2S)-2-butanyl]-3,11,14,17,20-pentaoxo-3',4'-dihydro-1'H-spiro[6,7-dithia-2,10,13,16,19-pentaazacycloicosane-1,2'-naphthale n]-9-yl}carbonyl)-N-methylglycyl-L-arginylglycinamid [German] [ACD/IUPAC Name]
N-({(1R,9S,12R,15S,18R)-12-(2-Amino-2-oxoethyl)-15-(3-amino-3-oxopropyl)-18-[(2S)-2-butanyl]-3,11,14,17,20-pentaoxo-3',4'-dihydro-1'H-spiro[6,7-dithia-2,10,13,16,19-pentaazacycloicosane-1,2'-naphthale n]-9-yl}carbonyl)-N-methylglycyl-L-arginylglycinamide [ACD/IUPAC Name]
N-({(1R,9S,12R,15S,18R)-12-(2-Amino-2-oxoéthyl)-15-(3-amino-3-oxopropyl)-18-[(2S)-2-butanyl]-3,11,14,17,20-pentaoxo-3',4'-dihydro-1'H-spiro[6,7-dithia-2,10,13,16,19-pentaazacycloicosane-1,2'-naphthale n]-9-yl}carbonyl)-N-méthylglycyl-L-arginylglycinamide [French] [ACD/IUPAC Name]

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: 1.690
Molar Refractivity: 256.0±0.5 cm3
#H bond acceptors: 25
#H bond donors: 17
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: -4.54
ACD/LogD (pH 5.5): -6.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 468 Å2
Polarizability: 101.5±0.5 10-24cm3
Surface Tension: 69.1±7.0 dyne/cm
Molar Volume: 670.1±7.0 cm3

Click to predict properties on the Chemicalize site


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