ChemSpider 2D Image | N~1~-(5-{[(2S)-5-Amino-1-{[N~5~-(diaminomethylene)-L-ornithyl]amino}-1-oxo-2-pentanyl]amino}pentyl)-N~2~-(1H-indol-3-ylacetyl)-L-aspartamide | C30H49N11O5

N1-(5-{[(2S)-5-Amino-1-{[N5-(diaminomethylene)-L-ornithyl]amino}-1-oxo-2-pentanyl]amino}pentyl)-N2-(1H-indol-3-ylacetyl)-L-aspartamide

  • Molecular FormulaC30H49N11O5
  • Average mass643.781 Da
  • Monoisotopic mass643.391785 Da
  • ChemSpider ID164124

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

L-Aspartamide, N1-[5-[[(1S)-4-amino-1-[[[(2S)-2-amino-5-[(diaminomethylene)amino]-1-oxopentyl]amino]carbonyl]butyl]amino]pentyl]-N2-[2-(1H-indol-3-yl)acetyl]- [ACD/Index Name]
N1-(5-{[(2S)-5-Amino-1-{[N5-(diaminomethylen)-L-ornithyl]amino}-1-oxo-2-pentanyl]amino}pentyl)-N2-(1H-indol-3-ylacetyl)-L-aspartamid [German] [ACD/IUPAC Name]
N1-(5-{[(2S)-5-Amino-1-{[N5-(diaminomethylene)-L-ornithyl]amino}-1-oxo-2-pentanyl]amino}pentyl)-N2-(1H-indol-3-ylacetyl)-L-aspartamide [ACD/IUPAC Name]
N1-(5-{[(2S)-5-Amino-1-{[N5-(diaminométhylène)-L-ornithyl]amino}-1-oxo-2-pentanyl]amino}pentyl)-N2-[2-(1H-indol-3-yl)acétyl]-L-aspartamide [French] [ACD/IUPAC Name]
(2S)-N-(5-{[(1S)-4-AMINO-1-{[(2S)-2-AMINO-5-[(DIAMINOMETHYLIDENE)AMINO]PENTANOYL]CARBAMOYL}BUTYL]AMINO}PENTYL)-2-[2-(1H-INDOL-3-YL)ACETAMIDO]SUCCINAMIDE
114355-42-9 [RN]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.658
Molar Refractivity: 167.9±0.5 cm3
#H bond acceptors: 16
#H bond donors: 15
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 3
ACD/LogP: -2.64
ACD/LogD (pH 5.5): -7.98
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.36
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 292 Å2
Polarizability: 66.6±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 455.9±7.0 cm3

Click to predict properties on the Chemicalize site


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