ChemSpider 2D Image | N-{(2S)-2-[(N-Acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-L-argininamide | C35H67N11O8

N-{(2S)-2-[(N-Acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-L-argininamide

  • Molecular FormulaC35H67N11O8
  • Average mass769.975 Da
  • Monoisotopic mass769.517395 Da
  • ChemSpider ID396026

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

128657-47-6 [RN]
L-Argininamide, N-[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-(acetylamino)-3-hydroxy-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]hexyl]-L-norleucyl-L-glutaminyl- [ACD/Index Name]
N-{(2S)-2-[(N-Acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-L-argininamid [German] [ACD/IUPAC Name]
N-{(2S)-2-[(N-Acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-L-argininamide [ACD/IUPAC Name]
N-{(2S)-2-[(N-Acétyl-L-thréonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-L-argininamide [French] [ACD/IUPAC Name]
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-Acetamido-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]hexyl]amino]hexanoyl]amino]-N-[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide
(2S)-N-[(1S)-1-CARBAMOYL-4-[(DIAMINOMETHYLIDENE)AMINO]BUTYL]-2-[(2S)-2-{[(2S)-2-[(2S,3S)-2-[(2S,3R)-2-ACETAMIDO-3-HYDROXYBUTANAMIDO]-3-METHYLPENTANAMIDO]HEXYL]AMINO}HEXANAMIDO]PENTANEDIAMIDE
(S)-2-((S)-2-{(S)-2-[(2S,3S)-2-((2S,3R)-2-Acetylamino-3-hydroxy-butyrylamino)-3-methyl-pentanoylamino]-hexylamino}-hexanoylamino)-pentanedioic acid 5-amide 1-[((S)-1-carbamoyl-4-guanidino-butyl)-amide]
125552-93-4 [RN]
2NC
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS001361 [DBID]
AIDS-001361 [DBID]
Mvt 101 [DBID]
Mvt-101 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.592
Molar Refractivity: 198.6±0.5 cm3
#H bond acceptors: 19
#H bond donors: 15
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: -0.55
ACD/LogD (pH 5.5): -4.93
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 326 Å2
Polarizability: 78.7±0.5 10-24cm3
Surface Tension: 51.5±7.0 dyne/cm
Molar Volume: 587.3±7.0 cm3

Click to predict properties on the Chemicalize site


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