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Search term: 35033268 (Found by CSID)
ChemSpider 2D Image | MI-1148 | C36H57N15O4

MI-1148

  • Molecular FormulaC36H57N15O4
  • Average mass763.936 Da
  • Monoisotopic mass763.471802 Da
  • ChemSpider ID35033268

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1Z,2S)-5-Carbamimidamido-2-[(Z)-{(2S)-2-[(Z)-{(2S)-5-carbamimidamido-2-[(Z)-{2-[4-(carbamimidamidomethyl)phenyl]-1-hydroxyethyliden}amino]-1-hydroxypentyliden}amino]-1-hydroxy-3,3-dimethylbutyliden}a mino]-N-(4-carbamimidoylbenzyl)pentanimidsäure [German] [ACD/IUPAC Name]
(1Z,2S)-5-Carbamimidamido-2-[(Z)-{(2S)-2-[(Z)-{(2S)-5-carbamimidamido-2-[(Z)-{2-[4-(carbamimidamidomethyl)phenyl]-1-hydroxyethylidene}amino]-1-hydroxypentylidene}amino]-1-hydroxy-3,3-dimethylbutyliden e}amino]-N-(4-carbamimidoylbenzyl)pentanimidic acid [ACD/IUPAC Name]
Acide (1Z,2S)-5-carbamimidamido-2-[(Z)-{(2S)-2-[(Z)-{(2S)-5-carbamimidamido-2-[(Z)-{2-[4-(carbamimidamidométhyl)phényl]-1-hydroxyéthylidène}amino]-1-hydroxypentylidène}amino]-1-hydroxy-3,3-diméthylbut ylidène}amino]-N-(4-carbamimidoylbenzyl)pentanimidique [French] [ACD/IUPAC Name]
Benzeneethanimidic acid, N-[(1S)-4-[(aminoiminomethyl)amino]-1-[(Z)-[[(1S)-1-[(Z)-[[(1S)-4-[(aminoiminomethyl)amino]-1-[(Z)-[[[4-(aminoiminomethyl)phenyl]methyl]imino]hydroxymethyl]butyl]imino]hydroxy methyl]-2,2-dimethylpropyl]imino]hydroxymethyl]butyl]-4-[[(aminoiminomethyl)amino]methyl]- [ACD/Index Name]
MI-1148
(2S)-5-carbamimidamido-2-{[(2S)-2-{[(2S)-5-carbamimidamido-2-{2-[4-(carbamimidamidomethyl)phenyl]acetamido}pentanoyl]amino}-3,3-dimethylbutanoyl]amino}-N-(4-carbamimidoylbenzyl)pentanamide
(2S)-N-[(2S)-1-[(4-carbamimidoylphenyl)methylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-[4-[(diaminomethylideneamino)methyl]phenyl]acetyl]amino]pentanoyl]amino]-3,3-dimethylbutanamide
4-(guanidinomethyl)phenylacetyl-Arg-Tle-Arg-4-amidinobenzylamide
4-guanidinomethyl-Phac-Arg-Tle-Arg-4-amba
4-guanidinomethyl-phenylacteyl-Arg-Tle-Arg-4-amidinobenzylamide
More...
  • Miscellaneous

    • Chemical Class:

      A tripeptide comprising of L-arginine, 3-methyl-L-valine and L-arginine joined in sequence by peptide linkages and in which the amino terminus is substituted by a [4-(carbamimidamidomethyl)phenyl]acet yl group and the carboxy terminus is substituted by a (4-carbamimidoylbenzyl)amino group. It is a highly potent inhibitor of furin endoprotease (Ki = 5.5 pM) that has anti-infectious activity. ChEBI CHEBI:167663

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

Density: 1.4±0.1 g/cm3
Boiling Point: 974.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 148.7±3.0 kJ/mol
Flash Point: 543.1±37.1 °C
Index of Refraction: 1.658
Molar Refractivity: 203.5±0.5 cm3
#H bond acceptors: 19
#H bond donors: 19
#Freely Rotating Bonds: 25
#Rule of 5 Violations: 3
ACD/LogP: 0.31
ACD/LogD (pH 5.5): -7.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 366 Å2
Polarizability: 80.7±0.5 10-24cm3
Surface Tension: 61.3±7.0 dyne/cm
Molar Volume: 552.2±7.0 cm3

Click to predict properties on the Chemicalize site


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