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L-Lyxonamide, 2,4,5-trideoxy-4-((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-N-(2-methyl-1-(((phenylmethyl)amino)carbonyl)propyl)-5-phenyl-2-((2-(2-pyridinyl)ethyl)amino)-, (1(S),4(S))-

HCID 460206
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Basic information

CAS
161510-43-6
Standard SMILES
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@@H](NCCc1ccccn1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C
InChIKey
OOTZLTIZOQCLBU-NREVGYPESA-N
Molecular formula
C43H54N6O6
Average molar mass
750.9 g/mol
Monoisotopic mass
750.41048346

Names & identifiers

Preferred name
L-Lyxonamide, 2,4,5-trideoxy-4-((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-N-(2-methyl-1-(((phenylmethyl)amino)carbonyl)propyl)-5-phenyl-2-((2-(2-pyridinyl)ethyl)amino)-, (1(S),4(S))-
IUPAC
benzyl N-[(2S)-1-[[(2S,3R,4R)-5-[[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-5-oxo-1-phenyl-4-(2-pyridin-2-ylethylamino)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Names & synonyms

161510-43-6L-Lyxonamide, 2,4,5-trideoxy-4-((3-methyl-1-oxo-2-(((phenylmethoxy)carbonyl)amino)butyl)amino)-N-(2-methyl-1-(((phenylmethyl)amino)carbonyl)propyl)-5-phenyl-2-((2-(2-pyridinyl)ethyl)amino)-, (1(S),4(S))-DTXSID50167172(2R,3S,4S)-N-((2-Pyridyl)ethylamino)-4-((N-((benzyloxy)carbonyl)valyl)amino)-3-hydroxy-5-phenylpentanoyl)valine benzylamideL-Lyxonamide, 2,4,5-trideoxy-4-[[3-methyl-1-oxo-2-[[(phenylmethoxy)carbonyl]amino]butyl]amino]-N-[2-methyl-1-[[(phenylmethyl)amino]carbonyl]propyl]-5-phenyl-2-[[2-(2-pyridinyl)ethyl]amino]-, [1(S),4(S)]-RefChem:350804DTXCID3089663Statine deriv. 15BDBM935CHEMBL317652(2R,3S,4S)-N-[(2-Pyridyl)ethylamino]-4-[[N-[(benzyloxy)carbonyl]valyl]amino]-3-hydroxy-5- phenylpentanoyl]valine benzylamideBenzyl [(2S)-1-{[(2S,3R,4R)-5-{[(2S)-1-(benzylamino)-3-methyl-1-oxobutan-2-yl]amino}-3-hydroxy-5-oxo-1-phenyl-4-{[2-(pyridin-2-yl)ethyl]amino}pentan-2-yl]amino}-3-methyl-1-oxobutan-2-yl]carbamate
Show more names
benzyl N-[(1S)-1-[[(1S,2R,3R)-1-benzyl-4-[[(1S)-1-(benzylcarbamoyl)-2-methyl-propyl]amino]-2-hydroxy-4-oxo-3-[2-(2-pyridyl)ethylamino]butyl]carbamoyl]-2-methyl-propyl]carbamatebenzyl N-[(1S)-1-{[(2S,3R,4R)-4-{[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]carbamoyl}-3-hydroxy-1-phenyl-4-{[2-(pyridin-2-yl)ethyl]amino}butan-2-yl]carbamoyl}-2-methylpropyl]carbamate

Properties

Computed structural properties

XLogP
5.6
Topological polar surface area
171 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
8
Rotatable bonds
21
Heavy atoms
55
Formal charge
0
Complexity
1,150

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Compound notes

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Database identifiers

CAS
161510-43-6
PubChem CID
460206
DTXSID
DTXSID50167172
ChEMBL
CHEMBL317652