Research chemical
CAS Number: 158859-98-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
24868178
Exact Mass
2352.316077
InChIKey
RJRBRCCJETZJLT-GSICZYLSSA-N
IUPAC Name
(3S,12S,18S,27S)-9-N,24-N-bis[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3,18-bis[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2,6,11,17,21,26-hexaoxo-1,7,10,16,22,25-hexazatricyclo[25.3.0.012,16]triacontane-9,24-dicarboxamide
SMILES String
CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCC(=O)NCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)[C@@H](C)CC)CCC(=O)NCC(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)[C@@H]2CCCN2C1=O
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.
H-Ile-Glu(1)-Pro-DL-Dap(2)-Tyr-Arg-Leu-Arg-Tyr-NH2.H-Ile-Glu(2)-Pro-DL-Dap(1)-Tyr-Arg-Leu-Arg-Tyr-NH2 is identified by CAS 158859-98-4, with molecular formula C110H170N34O24, molecular weight 2352.7, InChIKey RJRBRCCJETZJLT-GSICZYLSSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
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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
168
H-bond acceptors
58
H-bond donors
44
Rotatable bonds
58
Ring count
7
Aromatic rings
4
Topological polar surface area
972.96 Ų
Computed LogP
-6.78
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
H-Ile-Glu(1)-Pro-DL-Dap(2)-Tyr-Arg-Leu-Arg-Tyr-NH2. H-Ile-Glu(2)-Pro-DL-Dap(1)-Tyr-Arg-Leu-Arg-Tyr-NH2 (CAS 158859-98-4) is maintained as a commercial cas reference with formula C110H170N34O24, molecular weight 2352. 70 g/mol, PubChem CID 24868178.
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.