Research chemical
CAS Number: 852572-93-1
Product details
PubChem CID
118855704
Exact Mass
1392.532603
InChIKey
HPEIPHLEVXWIJI-CCSNTKEYSA-N
IUPAC Name
(3S)-3-[(2-aminobenzoyl)amino]-4-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxy-3-nitrophenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
SMILES String
CC[C@H](C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)c1ccccc1N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)N[C@H](C(N)=O)[C@@H](C)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.
Abz-Asp-Asp-Ile-Val-Pro-Cys-Ser-Met-Ser-3-nitro-Tyr-Thr-NH2 is identified by CAS 852572-93-1, with molecular formula C58H84N14O22S2, molecular weight 1393.5, InChIKey HPEIPHLEVXWIJI-CCSNTKEYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
96
H-bond acceptors
36
H-bond donors
20
Rotatable bonds
39
Ring count
3
Aromatic rings
2
Topological polar surface area
579.08 Ų
Computed LogP
-5.24
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
Abz-Asp-Asp-Ile-Val-Pro-Cys-Ser-Met-Ser-3-nitro-Tyr-Thr-NH2 (CAS 852572-93-1) is maintained as a commercial cas reference with formula C58H84N14O22S2, molecular weight 1393. 50 g/mol, PubChem CID 118855704.
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.