Account Cryptophycin
- Catalog No. :
- ACNMHH976
- CAS No. :
- 124689-65-2
- Molecular Formula :
- C35H43ClN2O8
- Molecular Weight :
- 655.19
IUPAC Name:(3S,6R,10R,16S,E)-10-(3-chloro-4-methoxybenzyl)-3-isobutyl-6-methyl-16-((S)-1-((2R,3R)-3-phenyloxiran-2-yl)ethyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetraone
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Product Information
| Product Name | Cryptophycin |
|---|---|
| IUPAC Name | (3S,6R,10R,16S,E)-10-(3-chloro-4-methoxybenzyl)-3-isobutyl-6-methyl-16-((S)-1-((2R,3R)-3-phenyloxiran-2-yl)ethyl)-1,4-dioxa-8,11-diazacyclohexadec-13-ene-2,5,9,12-tetraone |
| Molecular Formula | C35H43ClN2O8 |
| Molecular Weight | 655.19 |
| SMILES | COC1=C(Cl)C=C(C[C@H]2NC(=O)/C=C/C[C@@H]([C@H](C)[C@H]3O[C@@H]3C3=CC=CC=C3)OC(=O)[C@H](CC(C)C)OC(=O)[C@H](C)CNC2=O)C=C1 |
| InChI Key | PSNOPSMXOBPNNV-VVCTWANISA-N |
| CAS No. | 124689-65-2 |
Synthetic Route by SureRoute
2. ACNMHH976 Molecular Building Block Synthetic Route
45-((3-((4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-44,46-dichloro-8,23,29,31,33-pentahydroxy-7-(4-methyl-2-(methylamino)pentanamido)-2,6,25,39,40-pentaoxo-1,2,3,4,5,6,7,8,24,25,26,27,37,38,39,39a-hexadecahydro-23H-24,37-(epiminomethano)-9,12:19,22-dietheno-14,17:32,36-di(metheno)benzo[n][1]oxa[6,10]diazacycloheptadecino[4,5-d][1]oxa[7,17]diazacyclotetracosine-4,27-dicarboxylic acid
MC-betaglucuronide-MMAE-2
(3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-amino-2-oxoethyl)-6-((2R)-2-amino-3-methylpentanamido)-44-(((2S,3R,4S,5S,6R)-3-(((2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-10,19-dichloro-7,22,28,30,32-pentahydroxy-2,5,24,38,39-pentaoxo-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-1H,22H-23,36-(epiminomethano)-8,11:18,21-dietheno-13,16:31,35-di(metheno)benzo[n][1]oxa[6,9]diazacyclohexadecino[4,5-d][1]oxa[7,17]diazacyclotetracosine-26-carboxylic acid