Research chemical
CAS Number: 1014042-87-5
![N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]glycyl-D-valyl-S-benzyl-D-cysteine molecular structure, CAS 1014042-87-5](/structure-images/1014042-87-5.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
17579468
Exact Mass
649.245786
InChIKey
LNOWNWPORNCXHY-GGXMVOPNSA-N
IUPAC Name
(2S)-3-benzylsulfanyl-2-[[(2R)-3-methyl-2-[[2-[3-(3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoylamino]acetyl]amino]butanoyl]amino]propanoic acid
SMILES String
Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCC(=O)N[C@@H](C(=O)N[C@H](CSCc4ccccc4)C(=O)O)C(C)C)c(C)c3cc12
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]glycyl-D-valyl-S-benzyl-D-cysteine is identified by CAS 1014042-87-5, with molecular formula C34H39N3O8S, molecular weight 649.8, InChIKey LNOWNWPORNCXHY-GGXMVOPNSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
XLogP
4.3
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
46
H-bond acceptors
11
H-bond donors
4
Rotatable bonds
14
Ring count
4
Aromatic rings
4
Topological polar surface area
167.95 Ų
Computed LogP
4.16
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
N-[3-(3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoyl]glycyl-D-valyl-S-benzyl-D-cysteine (CAS 1014042-87-5) is an English MolGraph catalog reference, molecular formula C34H39N3O8S and molecular weight 649. 80 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.