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(3S,4S)-3-[3-(4-methanesulfonyl-benzyl)-2,4-dioxo-1,3,8-triaza-spiro[4.5]dec-8-ylmethyl]-4-phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester

HCID 11628596
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](CN2CCC3(CC2)NC(=O)N(Cc2ccc(S(C)(=O)=O)cc2)C3=O)[C@@H](c2ccccc2)C1
InChIKey
NSKQZWIQAWSCFH-AZGAKELHSA-N
Molecular formula
C31H40N4O6S
Average molar mass
596.7 g/mol

Names & identifiers

Preferred name
(3S,4S)-3-[3-(4-methanesulfonyl-benzyl)-2,4-dioxo-1,3,8-triaza-spiro[4.5]dec-8-ylmethyl]-4-phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester
IUPAC
tert-butyl (3S,4S)-3-[[3-[(4-methylsulfonylphenyl)methyl]-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]methyl]-4-phenylpyrrolidine-1-carboxylate

Names & synonyms

SCHEMBL3390772NSKQZWIQAWSCFH-AZGAKELHSA-N(3S,4S)-3-[3-(4-methanesulfonyl-benzyl)-2,4-dioxo-1,3,8-triaza-spiro[4.5]dec-8-ylmethyl]-4-phenyl-pyrrolidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
11628596

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
125 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
8
Heavy atoms
42
Formal charge
0
Complexity
1,110

Related reactions

2 records
New reaction record
HRID 2234209 reaction equation
HRID 2234209As productuspto-grants-2010_05
HRID 2234210 reaction equation
HRID 2234210As reactantuspto-grants-2010_05

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes