Maytanvaline
Basic information
- CAS
52978-27-5- Standard SMILES
COc1cc2cc(c1Cl)N(C)C(=O)CC(OC(=O)C(C)N(C)C(=O)CC(C)C)C1(C)OC1C(C)C1CC(O)(NC(=O)O1)C(OC)/C=C/C=C(\C)C2- InChIKey
GEWFLWGDLGSWHE-QLCGXXCYSA-N- Molecular formula
- C37H52ClN3O10
- Average molar mass
- 734.3 g/mol
- Monoisotopic mass
- 733.3341226
Names & identifiers
- Preferred name
- Maytanvaline
- IUPAC
- [(16E,18E)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] 2-[methyl(3-methylbutanoyl)amino]propanoate
Names & synonyms
MAYTANVALINE52978-27-5Maytansine, N(2')-deacetyl-N(2')-(3-methyl-1-oxobutyl)-NSC 219970SCHEMBL31237350
Database identifiers
- CAS
52978-27-5- PubChem CID
- 6436809
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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