Research chemical
CAS Number: 64905-03-9
Product details
For laboratory research and professional procurement workflows.
PubChem CID
46737363
Exact Mass
422.172287
InChIKey
IFBKMIZPKGMIEK-QWRGUYRKSA-N
IUPAC Name
(2S)-4-[(2R)-2-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
SMILES String
CC(C)(C)OC(=O)N[C@@H](CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)O)C(=O)O
No physical property values available.
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.
(3R,8S)-1-(1,1-Dimethylethoxy)-12,12-dimethyl-1,10-dioxo-11-oxa-5-thia-2,9-diazatridecanoic acid is identified by CAS 64905-03-9, with molecular formula C17H30N2O8S, molecular weight 422.5, InChIKey IFBKMIZPKGMIEK-QWRGUYRKSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
28
H-bond acceptors
10
H-bond donors
4
Rotatable bonds
9
Ring count
0
Aromatic rings
0
Topological polar surface area
151.26 Ų
Computed LogP
2.07
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
organic nitrogen ligand candidate
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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
(3R,8S)-1-(1,1-Dimethylethoxy)-12,12-dimethyl-1,10-dioxo-11-oxa-5-thia-2,9-diazatridecanoic acid (CAS 64905-03-9) is maintained as a commercial cas reference with formula C17H30N2O8S, molecular weight 422. 50 g/mol, PubChem CID 46737363.
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 drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.