Account Lys-Nε-SPDB-DM4
- Catalog No. :
- ACCQKT339
- CAS No. :
- 1280215-91-9
- Molecular Formula :
- C48H72ClN5O13S2
- Molecular Weight :
- 1026.71
IUPAC Name:N6-(4-((5-(((S)-1-(((14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl)oxy)-1-oxopropan-2-yl)(methyl)amino)-2-methyl-5-oxopentan-2-yl)disulfaneyl)butanoyl)-L-lysine
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Product Information
| Product Name | Lys-Nε-SPDB-DM4 |
|---|---|
| IUPAC Name | N6-(4-((5-(((S)-1-(((14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl)oxy)-1-oxopropan-2-yl)(methyl)amino)-2-methyl-5-oxopentan-2-yl)disulfaneyl)butanoyl)-L-lysine |
| Molecular Formula | C48H72ClN5O13S2 |
| Molecular Weight | 1026.71 |
| SMILES | C[C@@H]1[C@@H]2C[C@](NC(O2)=O)(O)[C@H](OC)/C=C/C=C(C)/CC3=CC(N(C)C(C[C@H](OC([C@@H](N(C(CCC(C)(SSCCCC(NCCCC[C@H](N)C(O)=O)=O)C)=O)C)C)=O)[C@@]4(C)[C@H]1O4)=O)=C(Cl)C(OC)=C3 |
| InChI Key | VUAUZOXSQKWNNO-NBSRGMMNSA-N |
| Synonym | Maytansine, N2'-[4-[[4-[[(5S)-5-amino-5-carboxypentyl]amino]-4-oxobutyl]dithio]-4-methyl-1-oxopentyl]-N2'-deacetyl- |
| CAS No. | 1280215-91-9 |
Synthetic Route by SureRoute
2. ACCQKT339 Molecular Building Block Synthetic Route
DBA-DM4
(14S,16S,32S,33S,2R,4S,10E,12E,14R)-86-Chloro-14-hydroxy-85,14-dimethoxy-33,2,7,10-tetramethyl-12,6-dioxo-7-aza-1(6,4)-oxazinana-3(2,3)-oxirana-8(1,3)-benzenacyclotetradecaphane-10,12-dien-4-yl N-methyl-N-(4-methyl-4-(methyldisulfaneyl)pentanoyl)-L-alaninate
DM3-SMe