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What are the key identifiers for 3-[(5R,8S,14R,17S,20S,23S,26S,29S,32S,35R)-5-[[(2S)-5-amino-5-oxo-2-[[2-[4-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]piperazin-1-yl]acetyl]amino]pentanoyl]amino]-35-carbamoyl-17-(carboxymethyl)-26-[(1R)-1-hydroxyethyl]-32-(hydroxymethyl)-29-(1H-indol-3-ylmethyl)-23-(2-methylpropyl)-6,9,15,18,21,24,27,30,33-nonaoxo-20-[[3-(4-sulfamoylbutanoylamino)phenyl]methyl]-3,37-dithia-7,10,16,19,22,25,28,31,34-nonazatricyclo[37.3.1.010,14]tritetraconta-1(43),39,41-trien-8-yl]propanoic acid (CAS 2941391-49-5)?
3-[(5R,8S,14R,17S,20S,23S,26S,29S,32S,35R)-5-[[(2S)-5-amino-5-oxo-2-[[2-[4-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]piperazin-1-yl]acetyl]amino]pentanoyl]amino]-35-carbamoyl-17-(carboxymethyl)-26-[(1R)-1-hydroxyethyl]-32-(hydroxymethyl)-29-(1H-indol-3-ylmethyl)-23-(2-methylpropyl)-6,9,15,18,21,24,27,30,33-nonaoxo-20-[[3-(4-sulfamoylbutanoylamino)phenyl]methyl]-3,37-dithia-7,10,16,19,22,25,28,31,34-nonazatricyclo[37.3.1.010,14]tritetraconta-1(43),39,41-trien-8-yl]propanoic acid is identified by CAS 2941391-49-5, with molecular formula C92H132N22O29S3, molecular weight 2106.4, InChIKey IGTWTCVMZRKJAW-OMNWDWICSA-N.
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Product details
Identity & specification
Molecular formula
C92H132N22O29S3
Molecular weight
2106.4 g/mol
Product type
Research-use catalog compound
Documentation
COA / SDS available by request
For laboratory research and professional procurement workflows.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
146
H-bond acceptors
51
H-bond donors
25
Rotatable bonds
35
Ring count
8
Aromatic rings
4
Topological polar surface area
766.01 Ų
Computed LogP
-6.89
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.
Catalog Facts
Structural features
3. 1. 010,14]tritetraconta-1(43),39,41-trien-8-yl]propanoic acid (CAS 2941391-49-5) is maintained as a commercial cas reference with formula C92H132N22O29S3, molecular weight 2106. 40 g/mol, PubChem CID 169895090.
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.
Can I request supplier SDS for 3-[(5R,8S,14R,17S,20S,23S,26S,29S,32S,35R)-5-[[(2S)-5-amino-5-oxo-2-[[2-[4-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]piperazin-1-yl]acetyl]amino]pentanoyl]amino]-35-carbamoyl-17-(carboxymethyl)-26-[(1R)-1-hydroxyethyl]-32-(hydroxymethyl)-29-(1H-indol-3-ylmethyl)-23-(2-methylpropyl)-6,9,15,18,21,24,27,30,33-nonaoxo-20-[[3-(4-sulfamoylbutanoylamino)phenyl]methyl]-3,37-dithia-7,10,16,19,22,25,28,31,34-nonazatricyclo[37.3.1.010,14]tritetraconta-1(43),39,41-trien-8-yl]propanoic acid?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
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![3-[(5R,8S,14R,17S,20S,23S,26S,29S,32S,35R)-5-[[(2S)-5-amino-5-oxo-2-[[2-[4-[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetyl]piperazin-1-yl]acetyl]amino]pentanoyl]amino]-35-carbamoyl-17-(carboxymethyl)-26-[(1R)-1-hydroxyethyl]-32-(hydroxymethyl)-29-(1H-indol-3-ylmethyl)-23-(2-methylpropyl)-6,9,15,18,21,24,27,30,33-nonaoxo-20-[[3-(4-sulfamoylbutanoylamino)phenyl]methyl]-3,37-dithia-7,10,16,19,22,25,28,31,34-nonazatricyclo[37.3.1.010,14]tritetraconta-1(43),39,41-trien-8-yl]propanoic acid molecular structure, CAS 2941391-49-5](/structure-images/2941391-49-5.png?v=struct-v3)