Benzyl 2-[3-phenoxyacetamido-4-(5-methoxybenzothiazol-2-yldithio)-2-azetidinon-1-yl]-3-methyl-3-butenoate

HCID 14830337
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Basic information

Standard SMILES
C=C(C)C(C(=O)OCc1ccccc1)N1C(=O)C(NC(=O)COc2ccccc2)C1SSc1nc2cc(OC)ccc2s1
InChIKey
KDBMVRVZFCVFBG-UHFFFAOYSA-N
Molecular formula
C31H29N3O6S3
Average molar mass
635.8 g/mol
Monoisotopic mass
635.12184917

Names & identifiers

Preferred name
Benzyl 2-[3-phenoxyacetamido-4-(5-methoxybenzothiazol-2-yldithio)-2-azetidinon-1-yl]-3-methyl-3-butenoate
IUPAC
benzyl 2-[2-[(5-methoxy-1,3-benzothiazol-2-yl)disulfanyl]-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate

Names & synonyms

SCHEMBL10670463KDBMVRVZFCVFBG-UHFFFAOYSA-Nbenzyl 2-[3-phenoxyacetamido-4-(5-methoxybenzothiazol-2-yldithio)-2-azetidinon-1-yl]-3-methyl-3-butenoate

Database identifiers

PubChem CID
14830337

Properties

Computed structural properties

XLogP
6.6
Topological polar surface area
186 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
10
Rotatable bonds
14
Heavy atoms
43

Related reactions

4 records
New reaction record

Compound notes

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