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What are the key identifiers for (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-(1-Adamantyl)acetyl]amino]-3-(4-ethoxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-N-[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]butanediamide (CAS 112465-00-6)?
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-(1-Adamantyl)acetyl]amino]-3-(4-ethoxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-N-[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]butanediamide is identified by CAS 112465-00-6, with molecular formula C62H94N16O11, molecular weight 1239.5, InChIKey LEXYSBQMSSPQTG-GZHSKDTOSA-N.
Can I request a COA for CAS 112465-00-6?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for (2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-(1-Adamantyl)acetyl]amino]-3-(4-ethoxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-N-[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]butanediamide?
Product details
Identity & specification
Molecular formula
C62H94N16O11
Molecular weight
1239.5 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
89
H-bond acceptors
27
H-bond donors
19
Rotatable bonds
35
Ring count
7
Aromatic rings
2
Topological polar surface area
448.22 Ų
Computed LogP
-0.6
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
50 g/mol, PubChem CID 14310017.
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.
![(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[2-(1-Adamantyl)acetyl]amino]-3-(4-ethoxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-N-[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]butanediamide molecular structure, CAS 112465-00-6](/structure-images/112465-00-6.png?v=struct-v3)