Research chemical
CAS Number: 1076199-61-5
![tert-Butyl 14-(N-Boc-amino)-1-[3-(methoxycarbonyl)phenoxy]-13,15-dioxo-3,6,9-trioxa-12,16-diazanonadecan-19-oate molecular structure, CAS 1076199-61-5](/structure-images/1076199-61-5.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
45038503
Exact Mass
655.331624
InChIKey
XILRGXFMEQJWTK-UHFFFAOYSA-N
IUPAC Name
methyl 3-[2-[2-[2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-3-oxopropanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
SMILES String
COC(=O)c1cccc(OCCOCCOCCOCCNC(=O)C(NC(=O)OC(C)(C)C)C(=O)NCCC(=O)OC(C)(C)C)c1
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
tert-Butyl 14-(N-Boc-amino)-1-[3-(methoxycarbonyl)phenoxy]-13,15-dioxo-3,6,9-trioxa-12,16-diazanonadecan-19-oate is identified by CAS 1076199-61-5, with molecular formula C31H49N3O12, molecular weight 655.7, InChIKey XILRGXFMEQJWTK-UHFFFAOYSA-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
46
H-bond acceptors
15
H-bond donors
3
Rotatable bonds
20
Ring count
1
Aromatic rings
1
Topological polar surface area
186.05 Ų
Computed LogP
1.76
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
tert-Butyl 14-(N-Boc-amino)-1-[3-(methoxycarbonyl)phenoxy]-13,15-dioxo-3,6,9-trioxa-12,16-diazanonadecan-19-oate (CAS 1076199-61-5) is maintained as a cataloged research chemical with formula C31H49N3O12, molecular weight 655. 70 g/mol, PubChem CID 45038503.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; 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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.