ChemSpider 2D Image | ({2-[(2S,4S)-2-{[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]carbamoyl}-4-(glycoloylamino)-1-piperidinyl]-2-oxoethyl}sulfanyl)acetic acid | C23H29N5O7S

({2-[(2S,4S)-2-{[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]carbamoyl}-4-(glycoloylamino)-1-piperidinyl]-2-oxoethyl}sulfanyl)acetic acid

  • Molecular FormulaC23H29N5O7S
  • Average mass519.571 Da
  • Monoisotopic mass519.178772 Da
  • ChemSpider ID5477650

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

({2-[(2S,4S)-2-{[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]carbamoyl}-4-(glycoloylamino)-1-piperidinyl]-2-oxoethyl}sulfanyl)acetic acid [ACD/IUPAC Name]
({2-[(2S,4S)-2-{[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]carbamoyl}-4-(glycoloylamino)-1-piperidinyl]-2-oxoethyl}sulfanyl)essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[2-[(2S,4S)-2-[[[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxoethyl]amino]carbonyl]-4-[(2-hydroxyacetyl)amino]-1-piperidinyl]-2-oxoethyl]thio]- [ACD/Index Name]
Acide [(2-{(2S,4S)-2-{[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxo-2-propanyl]carbamoyl}-4-[(2-hydroxyacétyl)amino]-1-pipéridinyl}-2-oxoéthyl)sulfanyl]acétique [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: 1028.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.4±3.0 kJ/mol
Flash Point: 575.5±34.3 °C
Index of Refraction: 1.681
Molar Refractivity: 132.1±0.4 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -0.32
ACD/LogD (pH 5.5): -2.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.84
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 220 Å2
Polarizability: 52.4±0.5 10-24cm3
Surface Tension: 85.3±5.0 dyne/cm
Molar Volume: 348.9±5.0 cm3

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