ChemSpider 2D Image | (2S,4S)-1-{[(2-{(2S,4S)-2-Carboxylato-4-[(cyclopropylcarbonyl)amino]-1-pyrrolidinyl}-2-oxoethyl)sulfanyl]acetyl}-4-{[(1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-2-pyrrolidinecarboxylate | C24H29N5O8S

(2S,4S)-1-{[(2-{(2S,4S)-2-Carboxylato-4-[(cyclopropylcarbonyl)amino]-1-pyrrolidinyl}-2-oxoethyl)sulfanyl]acetyl}-4-{[(1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-2-pyrrolidinecarboxylate

  • Molecular FormulaC24H29N5O8S
  • Average mass547.582 Da
  • Monoisotopic mass547.174805 Da
  • ChemSpider ID10056638

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(2S,4S)-1-{[(2-{(2S,4S)-2-Carboxylato-4-[(cyclopropylcarbonyl)amino]-1-pyrrolidinyl}-2-oxoethyl)sulfanyl]acetyl}-4-{[(1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-2-pyrrolidincarboxylat [German] [ACD/IUPAC Name]
(2S,4S)-1-{[(2-{(2S,4S)-2-Carboxylato-4-[(cyclopropylcarbonyl)amino]-1-pyrrolidinyl}-2-oxoethyl)sulfanyl]acetyl}-4-{[(1-methyl-1H-pyrrol-2-yl)carbonyl]amino}-2-pyrrolidinecarboxylate [ACD/IUPAC Name]
(2S,4S)-1-{2-[(2-{(2S,4S)-2-Carboxylato-4-[(cyclopropylcarbonyl)amino]-1-pyrrolidinyl}-2-oxoéthyl)sulfanyl]acétyl}-4-{[(1-méthyl-1H-pyrrol-2-yl)carbonyl]amino}-2-pyrrolidinecarboxylate [French] [ACD/IUPAC Name]

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

ZINC04221474 [DBID]

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

Density:
Boiling Point: 997.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 152.4±3.0 kJ/mol
Flash Point: 556.8±34.3 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -0.89
ACD/LogD (pH 5.5): -4.94
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 209 Å2
Polarizability:
Surface Tension:
Molar Volume:

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