2-[3(S)-azido-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-decahydro-(4aS,8aS)-isoquinoline-3(S)-carboxamide

HCID 10071203

Basic information

Standard SMILES
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)N=[N+]=[N-]
InChIKey
CRVJUVNHINBTJA-LILSUDLASA-N
Molecular formula
C24H37N5O2
Average molar mass
427.6 g/mol
Monoisotopic mass
427.29472544

Names & identifiers

Preferred name
2-[3(S)-azido-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-decahydro-(4aS,8aS)-isoquinoline-3(S)-carboxamide
IUPAC
(3S,4aS,8aS)-2-[(2R,3S)-3-azido-2-hydroxy-4-phenylbutyl]-N-tert-butyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide

Names & synonyms

SCHEMBL16377163CRVJUVNHINBTJA-LILSUDLASA-N2 -[3(S)-azido-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-decahydro-(4aS,8aS)-isoquinoline-3(S)-carboxamide2-[3(S) -azido-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-decahydro -(4aS,8aS)-isoquinoline-3(S)-carboxamide2-[3(S)-azido-2(R)-hydroxy-4-phenylbutyl]--N-tert.butyl-decahydro-(4aS,8aS)-isoquinoline-3(S)-carboxamide2-[3(S)-azido-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl -decahydro-(4aS,8aS)-isoquinoline-3(S)-carboxamide2-[3(S)-azido-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-decahydro- -(4aS,8aS)-isoquinoline-3(S)-carboxamide2-[3(S)-azido-2(R)-hydroxy-4-phenylbutyl]-N-tert.butyl-decahydro-(4aS,8aS)-isoquinoline-3(S)-carboxamide

Database identifiers

PubChem CID
10071203
Nikkaji
J3.104.513D

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
66.9 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
31

Related reactions

12 records

Compound notes

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