tert-butyl N-[4-[[[(6S)-3-(methanesulfonamido)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbonyl]amino]methyl]benzenecarboximidoyl]carbamate

HCID 145857232
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Basic information

Standard SMILES
CC(C)(C)OC(=O)NC(=N)c1ccc(CNC(=O)[C@@H]2CCc3ncc(NS(C)(=O)=O)c(=O)n32)cc1
InChIKey
LKSYYWBNPIHYLB-INIZCTEOSA-N
Molecular formula
C22H28N6O6S
Average molar mass
504.6 g/mol

Names & identifiers

Preferred name
tert-butyl N-[4-[[[(6S)-3-(methanesulfonamido)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbonyl]amino]methyl]benzenecarboximidoyl]carbamate
IUPAC
tert-butyl N-[4-[[[(6S)-3-(methanesulfonamido)-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carbonyl]amino]methyl]benzenecarboximidoyl]carbamate

Names & synonyms

SCHEMBL5902605

Database identifiers

PubChem CID
145857232

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
179 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
9
Heavy atoms
35

Related reactions

8 records
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Linked notes

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