Research chemical
CAS Number: 15686-70-1
![5,9,12,15-Tetrahydroxy-17-{hydroxy[(1-hydroxy-1-imino-3-phenylpropan-2-yl)imino]methyl}-11-[(1H-indol-3-yl)methyl]-2-methyl-14-[2-(methylsulfanyl)ethyl]-4-oxa-6,10,13,16-tetraazanonadeca-5,9,12,15-tetraen-19-oic acid molecular structure, CAS 15686-70-1](/structure-images/15686-70-1.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
21701
Exact Mass
767.331247
InChIKey
ALXRNCVIQSDJAO-UHFFFAOYSA-N
IUPAC Name
4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[3-(2-methylpropoxycarbonylamino)propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
SMILES String
CC(C)COC(=O)NCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N
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.
5,9,12,15-Tetrahydroxy-17-{hydroxy[(1-hydroxy-1-imino-3-phenylpropan-2-yl)imino]methyl}-11-[(1H-indol-3-yl)methyl]-2-methyl-14-[2-(methylsulfanyl)ethyl]-4-oxa-6,10,13,16-tetraazanonadeca-5,9,12,15-tetraen-19-oic acid is identified by CAS 15686-70-1, with molecular formula C37H49N7O9S, molecular weight 767.9, InChIKey ALXRNCVIQSDJAO-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
Quote required
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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
54
H-bond acceptors
16
H-bond donors
9
Rotatable bonds
22
Ring count
3
Aromatic rings
3
Topological polar surface area
250.91 Ų
Computed LogP
1.38
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
90 g/mol, PubChem CID 21701.
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.
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