Found 4 results

Search term: MF = 'C_{30}H_{53}N_{5}O_{8}'
ChemSpider 2D Image | (3S)-3-{[(2S)-2-({(2S)-2-[(2-ethylbutanoyl)amino]-3,3-dimethylbutanoyl}amino)-4-oxo-4-(pyrrolidin-1-yl)butanoyl]amino}-4-{[(2S)-1-hydroxy-4-methylpentan-2-yl]amino}-4-oxobutanoic acid (non-preferred name) | C30H53N5O8

(3S)-3-{[(2S)-2-({(2S)-2-[(2-ethylbutanoyl)amino]-3,3-dimethylbutanoyl}amino)-4-oxo-4-(pyrrolidin-1-yl)butanoyl]amino}-4-{[(2S)-1-hydroxy-4-methylpentan-2-yl]amino}-4-oxobutanoic acid (non-preferred name)

  • Molecular FormulaC30H53N5O8
  • Average mass611.771 Da
  • Monoisotopic mass611.389404 Da
  • ChemSpider ID449634

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S)-3-{[(2S)-2-({(2S)-2-[(2-Ethylbutanoyl)amino]-3,3-dimethylbutanoyl}amino)-4-oxo-4-(1-pyrrolidinyl)butanoyl]amino}-4-{[(2S)-1-hydroxy-4-methyl-2-pentanyl]amino}-4-oxobutanoic acid (non-preferred na me) [ACD/IUPAC Name]
(3S)-3-{[(2S)-2-({(2S)-2-[(2-Ethylbutanoyl)amino]-3,3-dimethylbutanoyl}amino)-4-oxo-4-(1-pyrrolidinyl)butanoyl]amino}-4-{[(2S)-1-hydroxy-4-methyl-2-pentanyl]amino}-4-oxobutansäure [German] [ACD/IUPAC Name]
(3S)-3-{[(2S)-2-({(2S)-2-[(2-ethylbutanoyl)amino]-3,3-dimethylbutanoyl}amino)-4-oxo-4-(pyrrolidin-1-yl)butanoyl]amino}-4-{[(2S)-1-hydroxy-4-methylpentan-2-yl]amino}-4-oxobutanoic acid (non-preferred name)
Acide (3S)-3-{[(2S)-2-({(2S)-2-[(2-éthylbutanoyl)amino]-3,3-diméthylbutanoyl}amino)-4-oxo-4-(1-pyrrolidinyl)butanoyl]amino}-4-{[(2S)-1-hydroxy-4-méthyl-2-pentanyl]amino}-4-oxobutanoïque (non-preferred name) [French] [ACD/IUPAC Name]
3-{2-[2-(2-Ethyl-butyrylamino)-3,3-dimethyl-butyrylamino]-4-oxo-4-pyrrolidin-1-yl-butyrylamino}-N-(1-hydroxymethyl-3-methyl-butyl)-succinamic acid

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

AIDS191888 [DBID]
AIDS-191888 [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: 945.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 156.0±6.0 kJ/mol
Flash Point: 525.4±34.3 °C
Index of Refraction: 1.520
Molar Refractivity: 159.7±0.3 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 0.62
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.15
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 194 Å2
Polarizability: 63.3±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 525.4±3.0 cm3

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