ChemSpider 2D Image | (3S)-5-[(4-Amino-4-oxobutyl)(methyl)amino]-3-({2-[3-(2-naphthoylamino)-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-4-oxopentanoic acid | C30H35N5O7

(3S)-5-[(4-Amino-4-oxobutyl)(methyl)amino]-3-({2-[3-(2-naphthoylamino)-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-4-oxopentanoic acid

  • Molecular FormulaC30H35N5O7
  • Average mass577.628 Da
  • Monoisotopic mass577.253662 Da
  • ChemSpider ID23241489

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(3S)-5-[(4-Amino-4-oxobutyl)(methyl)amino]-3-({2-[3-(2-naphthoylamino)-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-4-oxopentanoic acid [ACD/IUPAC Name]
(3S)-5-[(4-Amino-4-oxobutyl)(methyl)amino]-3-({2-[3-(2-naphthoylamino)-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-4-oxopentansäure [German] [ACD/IUPAC Name]
(3S)-5-[(4-amino-4-oxobutyl)(methyl)amino]-3-[(2-{3-[(naphthalen-2-ylcarbonyl)amino]-2-oxopyridin-1(2H)-yl}butanoyl)amino]-4-oxopentanoic acid
Acide (3S)-5-[(4-amino-4-oxobutyl)(méthyl)amino]-3-({2-[3-(2-naphtoylamino)-2-oxo-1(2H)-pyridinyl]butanoyl}amino)-4-oxopentanoïque [French] [ACD/IUPAC Name]
Pentanoic acid, 5-[(4-amino-4-oxobutyl)methylamino]-3-[[2-[3-[(2-naphthalenylcarbonyl)amino]-2-oxo-1(2H)-pyridinyl]-1-oxobutyl]amino]-4-oxo-, (3S)- [ACD/Index Name]
(S)-5-[(3-Carbamoyl-propyl)-methyl-amino]-3-(2-{3-[(naphthalene-2-carbonyl)-amino]-2-oxo-2H-pyridin-1-yl}-butyrylamino)-4-oxo-pentanoic acid
CHEMBL174581

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

Density: 1.4±0.1 g/cm3
Boiling Point: 962.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.8±3.0 kJ/mol
Flash Point: 535.7±34.3 °C
Index of Refraction: 1.648
Molar Refractivity: 155.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 1.73
ACD/LogD (pH 5.5): -1.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 179 Å2
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 69.8±5.0 dyne/cm
Molar Volume: 427.2±5.0 cm3

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