Research chemical
CAS Number: 3031514-44-7
Product details
PubChem CID
167312253
Exact Mass
1699.885039
InChIKey
UUKDZYHYHXLKTO-LMEGGTDHSA-N
IUPAC Name
(3S)-3-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(4-aminophenyl)-2-[(2-piperazin-1-ylacetyl)amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-[4-[2-(trifluoromethyl)phenyl]phenyl]propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[(2S)-1-[[(1S)-2-[(2S)-2-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
SMILES String
CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(N)cc1)NC(=O)CN1CCNCC1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(-c2ccccc2C(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(N)=O)C1CCCCC1
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Targefrin is identified by CAS 3031514-44-7, with molecular formula C85H116F3N19O15, molecular weight 1700.9, InChIKey UUKDZYHYHXLKTO-LMEGGTDHSA-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.
For laboratory research and professional procurement workflows.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
122
H-bond acceptors
34
H-bond donors
19
Rotatable bonds
39
Ring count
9
Aromatic rings
4
Topological polar surface area
506.41 Ų
Computed LogP
1.11
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
Targefrin (CAS 3031514-44-7) is maintained as a commercial cas reference with formula C85H116F3N19O15, molecular weight 1700. 90 g/mol, PubChem CID 167312253.
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.