Research chemical
CAS Number: 1338055-88-1
Product details
PubChem CID
56642479
Exact Mass
1252.717307
InChIKey
XYXFTCPJFHFTTO-KSPURPISSA-N
IUPAC Name
N-[(2S)-4-amino-1-[[(2S,3R)-1-[[(2S)-4-amino-1-oxo-1-[[(3S,6S,9S,12S,15R,18S,21S)-6,9,18-tris(2-aminoethyl)-3-[(1R)-1-hydroxyethyl]-12,15-bis(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,19-heptazacyclotricos-21-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-6-methylheptanamide;sulfuric acid
SMILES String
CC(C)CCCCC(=O)N[C@@H](CCN)C(=O)N[C@H](C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O.O=S(=O)(O)O
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
n2-(6-methyl-1-oxoheptyl)-l-2,4-diaminobutanoyl-l-threonyl-l-2,4-diaminobutanoyl-l-2,4-diaminobutanoyl-l-2,4-diaminobutanoyl-d-leucyl-l-leucyl-l-2,4-diaminobutanoyl-l-2,4-diaminobutanoyl-l-threonine (10?4)-lactam sulfate salt is identified by CAS 1338055-88-1, with molecular formula C52H100N16O17S, molecular weight 1253.5, InChIKey XYXFTCPJFHFTTO-KSPURPISSA-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.
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
86
H-bond acceptors
33
H-bond donors
25
Rotatable bonds
28
Ring count
1
Aromatic rings
0
Topological polar surface area
565.26 Ų
Computed LogP
-6.48
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
n2-(6-methyl-1-oxoheptyl)-l-2,4-diaminobutanoyl-l-threonyl-l-2,4-diaminobutanoyl-l-2,4-diaminobutanoyl-l-2,4-diaminobutanoyl-d-leucyl-l-leucyl-l-2,4-diaminobutanoyl-l-2,4-diaminobutanoyl-l-threonine (10?
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.