Research chemical
CAS Number: 1609010-59-4
![(3beta)-[6-[[(2S)-2-amino-(5alpha)-[(aminoiminomethyl)amino]-1-oxopentyl]amino]hexanoate],cholestan-3-ol,bis(2,2,2-trifluoroacetate) molecular structure, CAS 1609010-59-4](/structure-images/1609010-59-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
137700523
Exact Mass
885.541419
InChIKey
VOJMFRVKQJJEJI-SKZSWDEZSA-N
IUPAC Name
[(4S)-4-azaniumyl-5-[[6-[[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-oxohexyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium;bis(2,2,2-trifluoroacetate)
SMILES String
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCCCCNC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])CC[C@]4(C)[C@H]3CC[C@]12C.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F
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.
(3beta)-[6-[[(2S)-2-amino-(5alpha)-[(aminoiminomethyl)amino]-1-oxopentyl]amino]hexanoate],cholestan-3-ol,bis(2,2,2-trifluoroacetate) is identified by CAS 1609010-59-4, with molecular formula C43H73F6N5O7, molecular weight 886.1, InChIKey VOJMFRVKQJJEJI-SKZSWDEZSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
61
H-bond acceptors
12
H-bond donors
9
Rotatable bonds
17
Ring count
4
Aromatic rings
0
Topological polar surface area
226.94 Ų
Computed LogP
3.35
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
(3beta)-[6-[[(2S)-2-amino-(5alpha)-[(aminoiminomethyl)amino]-1-oxopentyl]amino]hexanoate],cholestan-3-ol,bis(2,2,2-trifluoroacetate) (CAS 1609010-59-4) is maintained as a commercial cas reference with formula C43H73F6N5O7, molecular weight 886.
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.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.