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Search term: KACDHMPRLCAESX (Found by InChIKey (skeleton match))
ChemSpider 2D Image | N-[(2S)-5-[(Diaminomethylene)amino]-1-oxo-1-{(2R)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]-1-piperidinyl}-2-pentanyl]-5-(dimethylamino)-1-naphthalenesulfonamide | C29H39N7O4S2

N-[(2S)-5-[(Diaminomethylene)amino]-1-oxo-1-{(2R)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]-1-piperidinyl}-2-pentanyl]-5-(dimethylamino)-1-naphthalenesulfonamide

  • Molecular FormulaC29H39N7O4S2
  • Average mass613.794 Da
  • Monoisotopic mass613.250488 Da
  • ChemSpider ID392147

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Naphthalenesulfonamide, N-[(1S)-4-[(diaminomethylene)amino]-1-[[(2R)-2-[3-oxo-3-(2-thiazolyl)propyl]-1-piperidinyl]carbonyl]butyl]-5-(dimethylamino)- [ACD/Index Name]
N-[(2S)-5-[(Diaminomethylen)amino]-1-oxo-1-{(2R)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]-1-piperidinyl}-2-pentanyl]-5-(dimethylamino)-1-naphthalinsulfonamid [German] [ACD/IUPAC Name]
N-[(2S)-5-[(Diaminométhylène)amino]-1-oxo-1-{(2R)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]-1-pipéridinyl}-2-pentanyl]-5-(diméthylamino)-1-naphtalènesulfonamide [French] [ACD/IUPAC Name]
N-[(2S)-5-[(Diaminomethylene)amino]-1-oxo-1-{(2R)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]-1-piperidinyl}-2-pentanyl]-5-(dimethylamino)-1-naphthalenesulfonamide [ACD/IUPAC Name]
Amino{[(4s)-4-({[5-(Dimethylamino)naphthalen-1-Yl]sulfonyl}amino)-5-Oxo-5-{(2r)-2-[3-Oxo-3-(1,3-Thiazol-2-Yl)propyl]piperidin-1-Yl}pentyl]amino}methaniminium
QWE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 840.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 461.9±37.1 °C
Index of Refraction: 1.675
Molar Refractivity: 165.8±0.5 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.12
ACD/LogD (pH 7.4): 0.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 9.23
Polar Surface Area: 201 Å2
Polarizability: 65.7±0.5 10-24cm3
Surface Tension: 59.1±7.0 dyne/cm
Molar Volume: 441.4±7.0 cm3

Click to predict properties on the Chemicalize site


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