2,2-Dimethyl-3alpha-cyano-6alpha-(p-dimethylamino-alpha-hydroxybenzyl)penam

HCID 70545653
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)c1ccc(C(O)[C@H]2C(=O)N3[C@@H]2SC(C)(C)[C@@H]3C#N)cc1
InChIKey
NOVYQWWQIWTWGK-KNKJBKQJSA-N
Molecular formula
C17H21N3O2S
Average molar mass
331.4 g/mol

Names & identifiers

Preferred name
2,2-Dimethyl-3alpha-cyano-6alpha-(p-dimethylamino-alpha-hydroxybenzyl)penam
IUPAC
(2S,5R,6S)-6-[[4-(dimethylamino)phenyl]-hydroxymethyl]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonitrile

Names & synonyms

SCHEMBL11244392NOVYQWWQIWTWGK-KNKJBKQJSA-N2,2-dimethyl-3alpha-cyano-6alpha-(p-dimethylamino-alpha-hydroxybenzyl)penam

Database identifiers

PubChem CID
70545653

Properties

Computed structural properties

XLogP
2
Topological polar surface area
92.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
23

Related reactions

2 records
New reaction record

Compound notes

Loading…