Research chemical
CAS Number: 8067-85-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
121987
Exact Mass
750.214169
InChIKey
ZJZHQGPJCMNEDT-TWZKVBNYSA-N
IUPAC Name
(2S,5R,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid;(2S,5R,6R)-3,3-dimethyl-6-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILES String
CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)[C@@H](C3=CC=CC=C3)N)C(=O)O)C
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
4-Thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid, 6-(((2R)-2-amino-2-phenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)-, mixt. with (2S,5R,6R)-3,3-dimethyl-6-(((5-methyl-3-phenyl-4-isoxazolyl)carbonyl)amino)-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid is identified by CAS 8067-85-4, with molecular formula C35H38N6O9S2, molecular weight 750.8, InChIKey ZJZHQGPJCMNEDT-TWZKVBNYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
52
H-bond acceptors
15
H-bond donors
6
Rotatable bonds
8
Ring count
7
Aromatic rings
3
Topological polar surface area
225.47 Ų
Computed LogP
2.21
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
4-Thia-1-azabicyclo(3. 2. 0)heptane-2-carboxylic acid, 6-(((2R)-2-amino-2-phenylacetyl)amino)-3,3-dimethyl-7-oxo-, (2S,5R,6R)-, mixt. with (2S,5R,6R)-3,3-dimethyl-6-(((5-methyl-3-phenyl-4-isoxazolyl)carbonyl)amino)-7-oxo-4-thia-1-azabicyclo(3. 2.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.