(6R,8S)-[3-(allyl-benzyloxycarbonyl-amino)-8-methyl-4-oxo-6-phenylcarbamoyl-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidin-8-yl]-acetic acid tert-butyl ester

HCID 69600880
Substructure searchFind similar structures

Basic information

Standard SMILES
C=CCN(C(=O)OCc1ccccc1)c1cnc2n(c1=O)[C@@H](C(=O)Nc1ccccc1)C[C@@]2(C)CC(=O)OC(C)(C)C
InChIKey
LZDFAJOQSKYPDW-QNLPTKCRSA-N
Molecular formula
C32H36N4O6
Average molar mass
572.7 g/mol
Monoisotopic mass
572.26348488

Names & identifiers

Preferred name
(6R,8S)-[3-(allyl-benzyloxycarbonyl-amino)-8-methyl-4-oxo-6-phenylcarbamoyl-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidin-8-yl]-acetic acid tert-butyl ester
IUPAC
tert-butyl 2-[(6R,8S)-8-methyl-4-oxo-6-(phenylcarbamoyl)-3-[phenylmethoxycarbonyl(prop-2-enyl)amino]-6,7-dihydropyrrolo[1,2-a]pyrimidin-8-yl]acetate

Names & synonyms

SCHEMBL5902339LZDFAJOQSKYPDW-QNLPTKCRSA-N(6R,8S)-[3-(allyl-benzyloxycarbonyl-amino)-8-methyl-4-oxo-6-phenylcarbamoyl-4,6,7,8-tetrahydro-pyrrolo[1,2-a]pyrimidin-8-yl]-acetic acid tert-butyl ester

Database identifiers

PubChem CID
69600880

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
118 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
12
Heavy atoms
42

Related reactions

2 records
New reaction record

Linked notes

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