Found 1 result

Search term: c1ccc(cc1)C(C(=O)NC(C=O)C2CCC(C(=N2)C(=O)O)Cl)N (Found by conversion of search term to chemical structure (connectivity match))
ChemSpider 2D Image | (3S,6R)-6-[(1S)-1-{[(2R)-2-Amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydro-2-pyridinecarboxylic acid | C16H18ClN3O4

(3S,6R)-6-[(1S)-1-{[(2R)-2-Amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydro-2-pyridinecarboxylic acid

  • Molecular FormulaC16H18ClN3O4
  • Average mass351.785 Da
  • Monoisotopic mass351.098572 Da
  • ChemSpider ID59053878

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,6R)-6-[(1S)-1-{[(2R)-2-Amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chlor-3,4,5,6-tetrahydro-2-pyridincarbonsäure [German] [ACD/IUPAC Name]
(3S,6R)-6-[(1S)-1-{[(2R)-2-Amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydro-2-pyridinecarboxylic acid [ACD/IUPAC Name]
2-Pyridinecarboxylic acid, 6-[(1S)-1-[[(2R)-2-amino-2-phenylacetyl]amino]-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydro-, (3S,6R)- [ACD/Index Name]
Acide (3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phénylacétyl]amino}-2-oxoéthyl]-3-chloro-3,4,5,6-tétrahydro-2-pyridinecarboxylique [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: 1.655
Molar Refractivity: 87.2±0.5 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.77
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 122 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 59.6±7.0 dyne/cm
Molar Volume: 237.8±7.0 cm3

Click to predict properties on the Chemicalize site


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