Research chemical
CAS Number: 389572-87-6
Product details
PubChem CID
10056977
Exact Mass
1069.449859
InChIKey
GFHXQXTURUFUAG-YEEOUUIGSA-N
IUPAC Name
(4S)-5-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2R)-1-[[(2S)-3-carboxy-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-[[2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoic acid
SMILES String
CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)C(C)C
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
2: PN: US20040072744 SEQID: 2 claimed protein is identified by CAS 389572-87-6, with molecular formula C43H67N13O17S, molecular weight 1070.1, InChIKey GFHXQXTURUFUAG-YEEOUUIGSA-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
74
H-bond acceptors
30
H-bond donors
17
Rotatable bonds
32
Ring count
2
Aromatic rings
1
Topological polar surface area
483.03 Ų
Computed LogP
-6.3
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
2: PN: US20040072744 SEQID: 2 claimed protein (CAS 389572-87-6) is maintained as a commercial cas reference with formula C43H67N13O17S, molecular weight 1070. 10 g/mol, PubChem CID 10056977.
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.