benzyl N-[6-(methoxymethyl)-6-[[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]methylcarbamoyl]-4-oxo-7,8-dihydropyrrolo[1,2-a]pyrimidin-3-yl]carbamate

HCID 145857230
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Basic information

Standard SMILES
COCC1(C(=O)NCc2ccc(C(=N)NC(=O)OC(C)(C)C)cc2)CCc2ncc(NC(=O)OCc3ccccc3)c(=O)n21
InChIKey
JYCIJEHCKFRQJQ-UHFFFAOYSA-N
Molecular formula
C31H36N6O7
Average molar mass
604.7 g/mol

Names & identifiers

Preferred name
benzyl N-[6-(methoxymethyl)-6-[[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]methylcarbamoyl]-4-oxo-7,8-dihydropyrrolo[1,2-a]pyrimidin-3-yl]carbamate
IUPAC
benzyl N-[6-(methoxymethyl)-6-[[4-[N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]phenyl]methylcarbamoyl]-4-oxo-7,8-dihydropyrrolo[1,2-a]pyrimidin-3-yl]carbamate

Names & synonyms

SCHEMBL5902591

Database identifiers

PubChem CID
145857230

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
172 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
9
Rotatable bonds
13
Heavy atoms
44

Related reactions

2 records
New reaction record

Compound notes

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