Research chemical
CAS Number: 2734878-02-3
![(4S)-4-[[2-[(2-bromoacetyl)amino]acetyl]amino]-5-[[3-[[4-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-6-yl]phenyl]methyl]-1-bicyclo[1.1.1]pentanyl]amino]-5-oxopentanoic acid molecular structure, CAS 2734878-02-3](/structure-images/2734878-02-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
169276787
Exact Mass
865.27852
InChIKey
XGXOXAGTONKWTH-DQDAAFTISA-N
SMILES String
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1C[C@H]1O[C@@H](c3ccc(CC45CC(NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CBr)(C4)C5)cc3)O[C@]12C(=O)CO
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
(4S)-4-[[2-[(2-bromoacetyl)amino]acetyl]amino]-5-[[3-[[4-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-6-yl]phenyl]methyl]-1-bicyclo[1.1.1]pentanyl]amino]-5-oxopentanoic acid is identified by CAS 2734878-02-3, with molecular formula C43H52BrN3O11, molecular weight 866.8, InChIKey XGXOXAGTONKWTH-DQDAAFTISA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
58
H-bond acceptors
14
H-bond donors
6
Rotatable bonds
14
Ring count
9
Aromatic rings
1
Topological polar surface area
217.66 Ų
Computed LogP
2.73
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
(4S)-4-[[2-[(2-bromoacetyl)amino]acetyl]amino]-5-[[3-[[4-[(1S,2S,4R,6R,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-16-oxo-5,7-dioxapentacyclo[10. 8. 0. 02,9. 04,8. 013,18]icosa-14,17-dien-6-yl]phenyl]methyl]-1-bicyclo[1. 1.
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.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.