 Home > Encyclopedia > benzyl ((4S,8S,9S,15S)-1-(3-amino-5,6-dimethylpyrazin-2-yl)-15-benzyl-4-((S)-sec-butyl)-9-(cyclohexylmethyl)-8-hydroxy-3,6,11,14,17-pentaoxo-2,5,10,13,16-pentaazadocosan-22-yl)carbamate

benzyl ((4S,8S,9S,15S)-1-(3-amino-5,6-dimethylpyrazin-2-yl)-15-benzyl-4-((S)-sec-butyl)-9-(cyclohexylmethyl)-8-hydroxy-3,6,11,14,17-pentaoxo-2,5,10,13,16-pentaazadocosan-22-yl)carbamate

benzyl ((4S,8S,9S,15S)-1-(3-amino-5,6-dimethylpyrazin-2-yl)-15-benzyl-4-((S)-sec-butyl)-9-(cyclohexylmethyl)-8-hydroxy-3,6,11,14,17-pentaoxo-2,5,10,13,16-pentaazadocosan-22-yl)carbamate structure

CAS No:
126657-82-7
Formula:
C49H71N9O8
Chemical Name:
benzyl ((4S,8S,9S,15S)-1-(3-amino-5,6-dimethylpyrazin-2-yl)-15-benzyl-4-((S)-sec-butyl)-9-(cyclohexylmethyl)-8-hydroxy-3,6,11,14,17-pentaoxo-2,5,10,13,16-pentaazadocosan-22-yl)carbamate
Synonyms:
EMD 55450;EMD-55450;L-threo-Pentonamide, N-(1-((((3-amino-5,6-dimethylpyrazinyl)methyl)amino)carbonyl)-2-methylbutyl)-5-cyclohexyl-2,4,5-trideoxy-4-((N-(N-(1-oxo-6-(((phenylmethoxy)carbonyl)amino)hexyl)-L-phenylalanyl)glycyl)amino)-, (S-(R*,R*))-;Emd 55450;126657-82-7;benzyl ((4S,8S,9S,15S)-1-(3-amino-5,6-dimethylpyrazin-2-yl)-15-benzyl-4-((S)-sec-butyl)-9-(cyclohexylmethyl)-8-hydroxy-3,6,11,14,17-pentaoxo-2,5,10,13,16-pentaazadocosan-22-yl)carbamate;Emd-55450;L-threo-Pentonamide, N-(1-((((3-amino-5,6-dimethylpyrazinyl)methyl)amino)carbonyl)-2-methylbutyl)-5-cyclohexyl-2,4,5-trideoxy-4-((N-(N-(1-oxo-6-(((phenylmethoxy)carbonyl)amino)hexyl)-L-phenylalanyl)glycyl)amino)-, (S-(R*,R*))-

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benzyl ((4S,8S,9S,15S)-1-(3-amino-5,6-dimethylpyrazin-2-yl)-15-benzyl-4-((S)-sec-butyl)-9-(cyclohexylmethyl)-8-hydroxy-3,6,11,14,17-pentaoxo-2,5,10,13,16-pentaazadocosan-22-yl)carbamate Basic Attributes

Molecular Weight：

914.1 g/mol

Exact Mass：

913.54256026 g/mol

Characteristics

PSA：

256 Å²

Drug Information

MeSH Entry Terms：

EMD 55450

Computed Properties

Molecular Weight:914.1
XLogP3:5.7
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:27
Exact Mass:913.54256026
Monoisotopic Mass:913.54256026
Topological Polar Surface Area:256
Heavy Atom Count:66
Complexity:1490
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of benzyl ((4S,8S,9S,15S)-1-(3-amino-5,6-dimethylpyrazin-2-yl)-15-benzyl-4-((S)-sec-butyl)-9-(cyclohexylmethyl)-8-hydroxy-3,6,11,14,17-pentaoxo-2,5,10,13,16-pentaazadocosan-22-yl)carbamate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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