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Phenyl-3-(N-carbobenzyloxyalanyl)amino-4-phenylbut-2-enyl Sulfone

HCID 86608596
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
C[C@H](NC(=O)OCc1ccccc1)C(=O)NC(=CCS(=O)(=O)CC=C(NC(=O)[C@H](C)NC(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
InChIKey
ZYYVLEUSRWIONO-ZAQUEYBZSA-N
Molecular formula
C54H54N4O8S
Average molar mass
919.1 g/mol

Names & identifiers

Preferred name
Phenyl-3-(N-carbobenzyloxyalanyl)amino-4-phenylbut-2-enyl Sulfone
IUPAC
benzyl N-[(2S)-1-[[4-[4,4-diphenyl-3-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]but-2-enyl]sulfonyl-1,1-diphenylbut-2-en-2-yl]amino]-1-oxopropan-2-yl]carbamate

Names & synonyms

SCHEMBL4409921ZYYVLEUSRWIONO-ZAQUEYBZSA-NPhenyl-3-(N-carbobenzyloxyalanyl)amino-4-phenylbut-2-enyl Sulfone

Database identifiers

PubChem CID
86608596

Properties

Computed structural propertiesFilling in

XLogP
8.6
Topological polar surface area
177 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
22
Heavy atoms
67
Formal charge
0
Complexity
1,560

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Related reactions

1 records
New reaction record
HRID 2111543 reaction equation
HRID 2111543As productuspto-grants-2009_04

Compound notes

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