ChemSpider 2D Image | N-Acetyl-N-methylglycylglycyl-L-valyl-D-alloisoleucyl-L-threonyl-L-norvalyl-L-isoleucyl-N~5~-(diaminomethylene)-L-ornithyl-N-ethyl-L-prolinamide | C46H83N13O11

N-Acetyl-N-methylglycylglycyl-L-valyl-D-alloisoleucyl-L-threonyl-L-norvalyl-L-isoleucyl-N5-(diaminomethylene)-L-ornithyl-N-ethyl-L-prolinamide

  • Molecular FormulaC46H83N13O11
  • Average mass994.232 Da
  • Monoisotopic mass993.633484 Da
  • ChemSpider ID5293759

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

251579-55-2 [RN]
L-Prolinamide, N-acetyl-N-methylglycylglycyl-L-valyl-D-alloisoleucyl-L-threonyl-L-norvalyl-L-isoleucyl-N5-(diaminomethylene)-L-ornithyl-N-ethyl- [ACD/Index Name]
N-Acetyl-N-methylglycylglycyl-L-valyl-D-alloisoleucyl-L-threonyl-L-norvalyl-L-isoleucyl-N5-(diaminomethylen)-L-ornithyl-N-ethyl-L-prolinamid [German] [ACD/IUPAC Name]
N-Acetyl-N-methylglycylglycyl-L-valyl-D-alloisoleucyl-L-threonyl-L-norvalyl-L-isoleucyl-N5-(diaminomethylene)-L-ornithyl-N-ethyl-L-prolinamide [ACD/IUPAC Name]
N-Acétyl-N-méthylglycylglycyl-L-valyl-D-alloisoleucyl-L-thréonyl-L-norvalyl-L-isoleucyl-N5-(diaminométhylène)-L-ornithyl-N-éthyl-L-prolinamide [French] [ACD/IUPAC Name]
(2S)-1-[(2S)-5-[(diaminomethylidene)amino]-2-[(2S,3S)-2-[(2S)-2-[(2S,3R)-3-hydroxy-2-[(2R,3S)-3-methyl-2-[(2S)-3-methyl-2-{2-[2-(N-methylacetamido)acetamido]acetamido}butanamido]pentanamido]butanamido
(2S)-1-[(2S)-5-[(diaminomethylidene)amino]-2-[(2S,3S)-2-[(2S)-2-[(2S,3R)-3-hydroxy-2-[(2R,3S)-3-methyl-2-[(2S)-3-methyl-2-{2-[2-(N-methylacetamido)acetamido]acetamido}butanamido]pentanamido]butanamido]pentanamido]-3-methylpentanamido]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
(S)-N-acetoxy-1-((6S,9S,12S,15S,18R,21S)-1-amino-9,18-di-sec-butyl-15-ethyl-1-imino-21-isopropyl-28-methyl-8,11,14,17,20,23,26,29-octaoxo-12-propyl-2,7,10,13,16,19,22,25,28-nonaazatriacontanecarbonyl)-N-ethylpyrrolidine-2-carboxamide
]pentanamido]-3-methylpentanamido]pentanoyl]-N-ethylpyrrolidine-2-carboxamide
ABT-526
More...

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

ABT-510 [DBID]
CRR8E37XOB [DBID]
UNII:CRR8E37XOB [DBID]
UNII-CRR8E37XOB [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.597
Molar Refractivity: 258.6±0.5 cm3
#H bond acceptors: 24
#H bond donors: 13
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 3
ACD/LogP: 1.01
ACD/LogD (pH 5.5): -2.97
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 358 Å2
Polarizability: 102.5±0.5 10-24cm3
Surface Tension: 49.7±7.0 dyne/cm
Molar Volume: 759.2±7.0 cm3

Click to predict properties on the Chemicalize site


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