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ChemSpider 2D Image | ({(4S)-4-[({(3S)-3-[(Benzylsulfonyl)amino]-2-oxo-1-piperidinyl}acetyl)amino]-5-oxopentyl}amino)(imino)methanaminium | C20H31N6O5S


  • Molecular FormulaC20H31N6O5S
  • Average mass467.562 Da
  • Monoisotopic mass467.207123 Da
  • ChemSpider ID26325274
  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

Date of deprecation: 10:11, Aug 26, 2015
Reason for deprecation: Deprecate record: there are no supporting data sources.

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Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

({(4S)-4-[({(3S)-3-[(Benzylsulfonyl)amino]-2-oxo-1-piperidinyl}acetyl)amino]-5-oxopentyl}amino)(imino)methanaminium [German] [ACD/IUPAC Name]
({(4S)-4-[({(3S)-3-[(Benzylsulfonyl)amino]-2-oxo-1-piperidinyl}acetyl)amino]-5-oxopentyl}amino)(imino)methanaminium [ACD/IUPAC Name]
({(4S)-4-[(2-{(3S)-3-[(Benzylsulfonyl)amino]-2-oxo-1-pipéridinyl}acétyl)amino]-5-oxopentyl}amino)(imino)méthanaminium [French] [ACD/IUPAC Name]
1-Piperidineacetamide, N-[(1S)-4-[(aminoiminomethyl)amino]-1-formylbutyl]-2-oxo-3-[[(phenylmethyl)sulfonyl]amino]-, conjugate monoacid, (3S)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: -1.09
ACD/LogD (pH 5.5): -2.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 185 Å2
Surface Tension:
Molar Volume:

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