Research chemical
CAS Number: 123180-72-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
177794287
Exact Mass
1619.710366
InChIKey
UPYJMYPKAJFHRN-QCMAZARJSA-N
IUPAC Name
(3S,6S,9R,16S,19R,22S,25S,31S,32R)-31-[[(2S)-2-[[(2R)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-3-[2-(2-aminophenyl)-2-oxoethyl]-25-(3-aminopropyl)-22-(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-19,32-dimethyl-2,5,8,11,14,18,21,24,27,30-decaoxo-1-oxa-4,7,10,13,17,20,23,26,29-nonazacyclodotriacontane-16-carboxylic acid
SMILES String
CCCCCCCCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]1C(=O)NCC(=O)N[C@@H](CCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](C(=O)O)CC(=O)NCC(=O)N[C@H](CO)C(=O)N[C@@H]([C@H](C)CC(=O)O)C(=O)N[C@@H](CC(=O)c2ccccc2N)C(=O)O[C@@H]1C
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.
9-L-beta-Aspartic acid daptomycin is identified by CAS 123180-72-3, with molecular formula C72H101N17O26, molecular weight 1620.7, InChIKey UPYJMYPKAJFHRN-QCMAZARJSA-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
115
H-bond acceptors
43
H-bond donors
25
Rotatable bonds
34
Ring count
4
Aromatic rings
3
Topological polar surface area
702.02 Ų
Computed LogP
-5.62
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
9-L-beta-Aspartic acid daptomycin (CAS 123180-72-3) is maintained as a commercial cas reference with formula C72H101N17O26, molecular weight 1620. 70 g/mol, PubChem CID 177794287.
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.