Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester)
[10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaen-24-yl] acetate
Also Known As: Acetyl ester of TPC-A|RA-V-23|5-(N-Methyl-L-tyrosine)bouvardin acetate|Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester)|ACETYLDEOXYBOUVARDIN B613763K154|2,5,11-Trihydroxy-10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-8,14,30-trioxo-22-oxa-3,6,9,12,15,29-hexaazatetracyclo[14.12.2.2~18,21~.1~23,27~]tritriaconta-2,5,11,18,20,23(31),24,26,32-nonaen-24-yl acetate
| Molecular Formula | C42H50N6O10 |
|---|---|
| Molecular Weight | 798.3588 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 798.3588 |
| Monoisotopic Mass | 798.3588 |
| Heavy Atoms | 58 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 86229-75-6 |
|---|---|
| SMILES | CC1C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)N(C2CC3=CC=C(C=C3)OC4=C(C=CC(=C4)CC(C(=O)N1)N(C2=O)C)OC(=O)C)C)C)CC5=CC=C(C=C5)OC)C)C |
| InChIKey | NQHZPMAGMUQTJO-UHFFFAOYSA-N |
Product Overview
Bouvardin, 5-(N-methyl-L-tyrosine)-, acetate (ester) (CAS 86229-75-6), with molecular formula C42H50N6O10 and molecular weight 798.3588 g/mol. IUPAC: [10-[(4-methoxyphenyl)methyl]-4,7,9,13,15,29-hexamethyl-2,5,8,11,14,30-hexaoxo-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaen-24-yl] acetate.
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