ChemSpider 2D Image | (2S)-N-[(2R)-2-Acetamido-3-(2-naphthyl)propanoyl]-1-[(2S)-2-{[(2S)-2-{[(2R)-2-amino-5-(carbamoylamino)pentanoyl]amino}-4-methylpentanoyl]amino}-5-carbamimidamidopentanoyl]-N-[(2R)-1-{[(2R)-2-amino-3-(
4-chlorophenyl)propanoyl][(2S)-2-{[(2S)-2-{[(2R)-2-amino-3-(3-pyridinyl)propanoyl]amino}-3-hydroxypropanoyl]amino}-3-(4-hydroxyphenyl)propanoyl]amino}-1-oxo-2-propanyl]-2-pyrrolidinecarboxamide (non-p
referred name) | C70H92ClN17O14

(2S)-N-[(2R)-2-Acetamido-3-(2-naphthyl)propanoyl]-1-[(2S)-2-{[(2S)-2-{[(2R)-2-amino-5-(carbamoylamino)pentanoyl]amino}-4-methylpentanoyl]amino}-5-carbamimidamidopentanoyl]-N-[(2R)-1-{[(2R)-2-amino-3-( 4-chlorophenyl)propanoyl][(2S)-2-{[(2S)-2-{[(2R)-2-amino-3-(3-pyridinyl)propanoyl]amino}-3-hydroxypropanoyl]amino}-3-(4-hydroxyphenyl)propanoyl]amino}-1-oxo-2-propanyl]-2-pyrrolidinecarboxamide (non-p referred name)

  • Molecular FormulaC70H92ClN17O14
  • Average mass1431.038 Da
  • Monoisotopic mass1429.669800 Da
  • ChemSpider ID28475059
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(2S)-N-[(2R)-2-Acetamido-3-(2-naphthyl)propanoyl]-1-[(2S)-2-{[(2S)-2-{[(2R)-2-amino-5-(carbamoylamino)pentanoyl]amino}-4-methylpentanoyl]amino}-5-carbamimidamidopentanoyl]-N-[(2R)-1-{[(2R)-2-amino-3-( 4-chlorophenyl)propanoyl][(2S)-2-{[(2S)-2-{[(2R)-2-amino-3-(3-pyridinyl)propanoyl]amino}-3-hydroxypropanoyl]amino}-3-(4-hydroxyphenyl)propanoyl]amino}-1-oxo-2-propanyl]-2-pyrrolidinecarboxamide (non-p referred name) [ACD/IUPAC Name]
(2S)-N-[(2R)-2-Acetamido-3-(2-naphthyl)propanoyl]-1-[(2S)-2-{[(2S)-2-{[(2R)-2-amino-5-(carbamoylamino)pentanoyl]amino}-4-methylpentanoyl]amino}-5-carbamimidamidopentanoyl]-N-[(2R)-1-{[(2R)-2-amino-3-( 4-chlorphenyl)propanoyl][(2S)-2-{[(2S)-2-{[(2R)-2-amino-3-(3-pyridinyl)propanoyl]amino}-3-hydroxypropanoyl]amino}-3-(4-hydroxyphenyl)propanoyl]amino}-1-oxo-2-propanyl]-2-pyrrolidincarboxamid (non-pref erred name) [German] [ACD/IUPAC Name]
(2S)-N-[(2R)-2-Acétamido-3-(2-naphtyl)propanoyl]-1-[(2S)-2-{[(2S)-2-{[(2R)-2-amino-5-(carbamoylamino)pentanoyl]amino}-4-méthylpentanoyl]amino}-5-carbamimidamidopentanoyl]-N-[(2R)-1-{[(2R)-2-amino-3-(4 -chlorophényl)propanoyl][(2S)-2-{[(2S)-2-{[(2R)-2-amino-3-(3-pyridinyl)propanoyl]amino}-3-hydroxypropanoyl]amino}-3-(4-hydroxyphényl)propanoyl]amino}-1-oxo-2-propanyl]-2-pyrrolidinecarboxamide (non-pr eferred name) [French] [ACD/IUPAC Name]
120287-85-6 [RN]
D-Alaninamide,N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-L-tyrosyl-N5-(aminocarbonyl)-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.670
Molar Refractivity: 373.5±0.5 cm3
#H bond acceptors: 31
#H bond donors: 20
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: 1.78
ACD/LogD (pH 5.5): -5.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 506 Å2
Polarizability: 148.1±0.5 10-24cm3
Surface Tension: 62.4±7.0 dyne/cm
Molar Volume: 999.7±7.0 cm3

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