Research chemical
CAS Number: 131104-10-4
![1-[2-[6-aminohexanoyl-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]-3-phenylpropanoyl]-N-[1-chloro-7-(diaminomethylideneamino)-2,3-dioxoheptan-4-yl]pyrrolidine-2-carboxamide molecular structure, CAS 131104-10-4](/structure-images/131104-10-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
172640241
Exact Mass
817.371194
InChIKey
QPFMHZSYNCMTSF-UHFFFAOYSA-N
SMILES String
NCCCCCC(=O)N(C(=O)CCCCC1SCC2NC(=O)NC21)C(Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)C(=O)CCl
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
1-[2-[6-aminohexanoyl-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoyl]amino]-3-phenylpropanoyl]-N-[1-chloro-7-(diaminomethylideneamino)-2,3-dioxoheptan-4-yl]pyrrolidine-2-carboxamide is identified by CAS 131104-10-4, with molecular formula C38H56ClN9O7S, molecular weight 818.4, InChIKey QPFMHZSYNCMTSF-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.
Heavy atom count
56
H-bond acceptors
16
H-bond donors
9
Rotatable bonds
23
Ring count
4
Aromatic rings
1
Topological polar surface area
252.48 Ų
Computed LogP
1.1
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
40 g/mol, PubChem CID 172640241.
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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.