benzyl N-[1-[[1-[[3-benzylsulfanyl-1-[2-[[1-(carbaMoylMethylcarbaMoyl)-3-Methyl-butyl]carbaMoyl]pyrrolidin-1-yl]-1-oxo-propan-2-yl]carbaMoyl]-2-carbaMoyl-ethyl]carbaMoyl]-3-carbaMoyl-propyl]carbaMate
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benzyl N-[1-[[1-[[3-benzylsulfanyl-1-[2-[[1-(carbaMoylMethylcarbaMoyl)-3-Methyl-butyl]carbaMoyl]pyrrolidin-1-yl]-1-oxo-propan-2-yl]carbaMoyl]-2-carbaMoyl-ethyl]carbaMoyl]-3-carbaMoyl-propyl]carbaMate
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CAS No:
21688-11-9
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Formula:
C40H55N9O10S
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Chemical Name:
benzyl N-[1-[[1-[[3-benzylsulfanyl-1-[2-[[1-(carbaMoylMethylcarbaMoyl)-3-Methyl-butyl]carbaMoyl]pyrrolidin-1-yl]-1-oxo-propan-2-yl]carbaMoyl]-2-carbaMoyl-ethyl]carbaMoyl]-3-carbaMoyl-propyl]carbaMate
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Synonyms:
NSC270033;CTK1A7996;DTXSID70330528;NSC-270033;N~2~-[(Benzyloxy)carbonyl]glutaminylasparaginyl-S-benzylcysteinylprolylleucylglycinamide;BENZYL N-[1-[[1-[[3-BENZYLSULFANYL-1-[2-[[1-(CARBAMOYLMETHYLCARBAMOYL)-3-METHYL-BUTYL]CARBAMOYL]PYRROLIDIN-1-YL]-1-OXO-PROPAN-2-YL]CARBAMOYL]-2-CARBAMOYL-ETHYL]CARBAMOYL]-3-CARBAMOYL-PROPYL]CARBAMATE
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CAS No:
benzyl N-[1-[[1-[[3-benzylsulfanyl-1-[2-[[1-(carbaMoylMethylcarbaMoyl)-3-Methyl-butyl]carbaMoyl]pyrrolidin-1-yl]-1-oxo-propan-2-yl]carbaMoyl]-2-carbaMoyl-ethyl]carbaMoyl]-3-carbaMoyl-propyl]carbaMate Basic Attributes
853.984
853.379
-0
270033
DTXSID70330528
Computed Properties
Molecular Weight:854.0
XLogP3:-0.2
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:25
Exact Mass:853.37926016
Monoisotopic Mass:853.37926016
Topological Polar Surface Area:330
Heavy Atom Count:60
Complexity:1510
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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