(3aS,4S,7aS)-7,7-diphenyl-4-(2-methoxyphenyl)-2-[(S)-2-tert-butoxycarbonylamino-2-phenylacetyl]perhydroisoindol-4-ol

HCID 22857047
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Basic information

Standard SMILES
COc1ccccc1[C@]1(O)CCC(c2ccccc2)(c2ccccc2)[C@H]2CN(C(=O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C[C@H]21
InChIKey
YGVMJABAYUYYTC-XDGJDWJLSA-N
Molecular formula
C40H44N2O5
Average molar mass
632.8 g/mol
Monoisotopic mass
632.32502251

Names & identifiers

Preferred name
(3aS,4S,7aS)-7,7-diphenyl-4-(2-methoxyphenyl)-2-[(S)-2-tert-butoxycarbonylamino-2-phenylacetyl]perhydroisoindol-4-ol
IUPAC
tert-butyl N-[(1S)-2-[(3aS,4S,7aS)-4-hydroxy-4-(2-methoxyphenyl)-7,7-diphenyl-1,3,3a,5,6,7a-hexahydroisoindol-2-yl]-2-oxo-1-phenylethyl]carbamate

Names & synonyms

SCHEMBL8956825YGVMJABAYUYYTC-XDGJDWJLSA-N(3aS,4S,7aS)-7,7-diphenyl-4-(2-methoxyphenyl)-2-[(S)-2-tert-butoxycarbonylamino-2-phenylacetyl]perhydroisoindol-4-ol

Database identifiers

PubChem CID
22857047

Properties

Computed structural properties

XLogP
7
Topological polar surface area
88.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
47

Related reactions

1 records
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Compound notes

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