Found 1 result

Search term: CC[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O (Found by conversion of search term to chemical structure (full match))
ChemSpider 2D Image | 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE | C45H58N6O7

4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE

  • Molecular FormulaC45H58N6O7
  • Average mass794.978 Da
  • Monoisotopic mass794.436707 Da
  • ChemSpider ID394657

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE
L-Valinamide, N-acetyl-3-(1-naphthalenyl)-L-alanyl-N-[(1S,2S)-4-[[(1S)-1-[[[(1S)-2-amino-1-(1-naphthalenylmethyl)-2-oxoethyl]amino]carbonyl]propyl]amino]-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl]- [ACD/Index Name]
N-Acetyl-3-(1-naphthyl)-L-alanyl-N-[(3S,4S)-1-{[(2S)-1-{[(2S)-1-amino-3-(1-naphthyl)-1-oxo-2-propanyl]amino}-1-oxo-2-butanyl]amino}-3-hydroxy-6-methyl-1-oxo-4-heptanyl]-L-valinamid [German] [ACD/IUPAC Name]
N-Acetyl-3-(1-naphthyl)-L-alanyl-N-[(3S,4S)-1-{[(2S)-1-{[(2S)-1-amino-3-(1-naphthyl)-1-oxo-2-propanyl]amino}-1-oxo-2-butanyl]amino}-3-hydroxy-6-methyl-1-oxo-4-heptanyl]-L-valinamide [ACD/IUPAC Name]
N-Acétyl-3-(1-naphtyl)-L-alanyl-N-[(3S,4S)-1-{[(2S)-1-{[(2S)-1-amino-3-(1-naphtyl)-1-oxo-2-propanyl]amino}-1-oxo-2-butanyl]amino}-3-hydroxy-6-méthyl-1-oxo-4-heptanyl]-L-valinamide [French] [ACD/IUPAC Name]
(3S,4S)-4-[[(2S)-2-[[(2S)-2-acetamido-3-naphthalen-1-ylpropanoyl]amino]-3-methylbutanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-naphthalen-1-yl-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]-3-hydroxy-6-methylheptanamide
153314-49-9 [RN]
1NI
4-[2-(2-ACETYLAMINO-3-NAPHTHALEN-1-YL-PROPIONYLAMINO)-3-METHYL-BUTYRYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE
LP1
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

LP 130 [DBID]
LP-130 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 1174.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 181.9±3.0 kJ/mol
Flash Point: 663.8±34.3 °C
Index of Refraction: 1.597
Molar Refractivity: 225.4±0.3 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 4
ACD/LogP: 5.39
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 1031.43
ACD/KOC (pH 5.5): 4992.79
ACD/LogD (pH 7.4): 4.27
ACD/BCF (pH 7.4): 1031.43
ACD/KOC (pH 7.4): 4992.78
Polar Surface Area: 209 Å2
Polarizability: 89.4±0.5 10-24cm3
Surface Tension: 51.6±3.0 dyne/cm
Molar Volume: 661.8±3.0 cm3

Click to predict properties on the Chemicalize site


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