ChemSpider 2D Image | 5-Oxoprolylprolyl-N-[14-carboxy-11-(hydroxymethyl)-5-isopropyl-3,6,9,12-tetraoxo-1,4,7,10,13-pentaazatricyclo[14.6.1.0~17,22~]tricosa-16(23),17,19,21-tetraen-2-yl]tyrosinamide | C42H51N9O12

5-Oxoprolylprolyl-N-[14-carboxy-11-(hydroxymethyl)-5-isopropyl-3,6,9,12-tetraoxo-1,4,7,10,13-pentaazatricyclo[14.6.1.017,22]tricosa-16(23),17,19,21-tetraen-2-yl]tyrosinamide

  • Molecular FormulaC42H51N9O12
  • Average mass873.907 Da
  • Monoisotopic mass873.365723 Da
  • ChemSpider ID35014628

More details:

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

5-Oxoprolylprolyl-N-[14-carboxy-11-(hydroxymethyl)-5-isopropyl-3,6,9,12-tetraoxo-1,4,7,10,13-pentaazatricyclo[14.6.1.017,22]tricosa-16(23),17,19,21-tetraen-2-yl]tyrosinamid [German] [ACD/IUPAC Name]
5-Oxoprolylprolyl-N-[14-carboxy-11-(hydroxymethyl)-5-isopropyl-3,6,9,12-tetraoxo-1,4,7,10,13-pentaazatricyclo[14.6.1.017,22]tricosa-16(23),17,19,21-tetraen-2-yl]tyrosinamide [ACD/IUPAC Name]
5-Oxoprolylprolyl-N-[14-carboxy-11-(hydroxyméthyl)-5-isopropyl-3,6,9,12-tétraoxo-1,4,7,10,13-pentaazatricyclo[14.6.1.017,22]tricosa-16(23),17,19,21-tétraén-2-yl]tyrosinamide [French] [ACD/IUPAC Name]
Tyrosinamide, 5-oxoprolylprolyl-N-[14-carboxy-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-11-(hydroxymethyl)-5-(1-methylethyl)-3,6,9,12-tetraoxo-1,16-metheno-1,4,7,10,13-benzopentaazacyclooctadec in-2-yl]- [ACD/Index Name]
11-(hydroxymethyl)-2-[3-(4-hydroxyphenyl)-2-{[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidin-2-yl]formamido}propanamido]-5-isopropyl-3,6,9,12-tetraoxo-1,4,7,10,13-pentaazatricyclo[14.6.1.0�7,��]tricosa-16(23),17,19,21-tetraene-14-carboxylic acid
Lyciumin A

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1490.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 240.3±3.0 kJ/mol
Flash Point: 855.4±34.3 °C
Index of Refraction: 1.723
Molar Refractivity: 220.0±0.5 cm3
#H bond acceptors: 21
#H bond donors: 10
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.01
ACD/LogD (pH 5.5): -5.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 307 Å2
Polarizability: 87.2±0.5 10-24cm3
Surface Tension: 70.2±7.0 dyne/cm
Molar Volume: 555.1±7.0 cm3

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