ChemSpider 2D Image | 2-({(E)-[1-(2-Amino-1,3-thiazol-4-yl)-2-{[(3S)-1-({[(3E)-3-(4-hydroxy-5-oxo-2(5H)-pyridinylidene)-4-methyl-5-oxo-1,2,4-triazolidin-1-yl]sulfonyl}carbamoyl)-2-oxo-3-azetidinyl]amino}-2-oxoethylidene]am ino}oxy)-2-methylpropanoic acid | C21H22N10O11S2

2-({(E)-[1-(2-Amino-1,3-thiazol-4-yl)-2-{[(3S)-1-({[(3E)-3-(4-hydroxy-5-oxo-2(5H)-pyridinylidene)-4-methyl-5-oxo-1,2,4-triazolidin-1-yl]sulfonyl}carbamoyl)-2-oxo-3-azetidinyl]amino}-2-oxoethylidene]am ino}oxy)-2-methylpropanoic acid

  • Molecular FormulaC21H22N10O11S2
  • Average mass654.590 Da
  • Monoisotopic mass654.091064 Da
  • ChemSpider ID7852663

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-({(E)-[1-(2-Amino-1,3-thiazol-4-yl)-2-{[(3S)-1-({[(3E)-3-(4-hydroxy-5-oxo-2(5H)-pyridinyliden)-4-methyl-5-oxo-1,2,4-triazolidin-1-yl]sulfonyl}carbamoyl)-2-oxo-3-azetidinyl]amino}-2-oxoethyliden]amin o}oxy)-2-methylpropansäure [German] [ACD/IUPAC Name]
2-({(E)-[1-(2-Amino-1,3-thiazol-4-yl)-2-{[(3S)-1-({[(3E)-3-(4-hydroxy-5-oxo-2(5H)-pyridinylidene)-4-methyl-5-oxo-1,2,4-triazolidin-1-yl]sulfonyl}carbamoyl)-2-oxo-3-azetidinyl]amino}-2-oxoethylidene]am ino}oxy)-2-methylpropanoic acid [ACD/IUPAC Name]
Acide 2-({(E)-[1-(2-amino-1,3-thiazol-4-yl)-2-{[(3S)-1-({[(3E)-3-(4-hydroxy-5-oxo-2(5H)-pyridinylidène)-4-méthyl-5-oxo-1,2,4-triazolidin-1-yl]sulfonyl}carbamoyl)-2-oxo-3-azétidinyl]amino}-2-oxoéthylid ène]amino}oxy)-2-méthylpropanoïque [French] [ACD/IUPAC Name]
Propanoic acid, 2-[[[(1E)-1-(2-amino-4-thiazolyl)-2-[[(3S)-1-[[[[(3E)-3-(4-hydroxy-5-oxo-2(5H)-pyridinylidene)-4-methyl-5-oxo-1,2,4-triazolidin-1-yl]sulfonyl]amino]carbonyl]-2-oxo-3-azetidinyl]amino]- 2-oxoethylidene]amino]oxy]-2-methyl- [ACD/Index Name]
123444-35-9 [RN]
Propanoic acid, 2-(((1-(2-amino-4-thiazolyl)-2-((1-((((3-(1,4-dihydro-5-hydroxy-4-oxo-2-pyridinyl)-4,5-dihydro-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)sulfonyl)amino)carbonyl)-2-oxo-3-azetidinyl)amino)-2-oxoethylidene)imino)oxy)-2-methyl-, (S-(Z))-
PROPANOIC ACID,2-[[[N-(Z)]-[1-(2-AMINO-4-THIAZOLYL)-2-[[(3S)-1-[[[[3-(1,4-DIHYDRO-5-HYDROXY-4-OXO-2-PYRIDINYL)-4,5-DIHYDRO-4-METHYL-5-OXO-1H-1,2,4-TRIAZOL-1-YL]SULFONYL]AMINO]CARBONYL]-2-OXO-3-AZETIDINYL]AMINO]-2-OXOETHYLIDENE]AMINO]OXY]-2-METHYL-(9CI)
U 78 608

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

U 78608 [DBID]
U-78608 [DBID]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.828
Molar Refractivity: 147.0±0.5 cm3
#H bond acceptors: 21
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.40
ACD/LogD (pH 5.5): -6.92
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 332 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 100.4±7.0 dyne/cm
Molar Volume: 335.3±7.0 cm3

Click to predict properties on the Chemicalize site


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