Research chemical
CAS Number: 1802078-31-4
Product details
PubChem CID
131849985
Exact Mass
1532.594334
InChIKey
VVRDRGFGUVYUOH-PKEZMKBBSA-N
IUPAC Name
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-3-hydroxy-2-[[2-(7-methoxy-2-oxochromen-4-yl)acetyl]amino]propanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-6-(2,4-dinitroanilino)hexanoic acid
SMILES String
COc1ccc2c(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C(=O)O)C(C)C)cc(=O)oc2c1
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Mca-(Asn670,Leu671)-Amyloid beta/A4 Protein Precursor770 (667-675)-Lys(Dnp) ammonium acetate salt is identified by CAS 1802078-31-4, with molecular formula C68H88N14O27, molecular weight 1533.5, InChIKey VVRDRGFGUVYUOH-PKEZMKBBSA-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
109
H-bond acceptors
41
H-bond donors
18
Rotatable bonds
47
Ring count
4
Aromatic rings
4
Topological polar surface area
641.27 Ų
Computed LogP
-1.59
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
Mca-(Asn670,Leu671)-Amyloid beta/A4 Protein Precursor770 (667-675)-Lys(Dnp) ammonium acetate salt (CAS 1802078-31-4) is maintained as a commercial cas reference with formula C68H88N14O27, molecular weight 1533. 50 g/mol, PubChem CID 131849985.
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.