Account (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-(3-(((R)-2-((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-19-((R)-2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-amino-3-oxopropyl)disulfanyl)propanoyl)-N-methyl-L-alaninate
- Catalog No. :
- ACJDLC592
- CAS No. :
- 1853254-97-3
- Molecular Formula :
- C83H109ClN14O20S4
- Molecular Weight :
- 1786.58
IUPAC Name:(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-(3-(((R)-2-((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-19-((R)-2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-amino-3-oxopropyl)disulfaneyl)propanoyl)-N-methyl-L-alaninate
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Product Information
| Product Name | (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-(3-(((R)-2-((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-19-((R)-2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-amino-3-oxopropyl)disulfanyl)propanoyl)-N-methyl-L-alaninate |
|---|---|
| IUPAC Name | (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-(3-(((R)-2-((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-19-((R)-2-amino-3-phenylpropanamido)-10-(4-aminobutyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-amino-3-oxopropyl)disulfaneyl)propanoyl)-N-methyl-L-alaninate |
| Molecular Formula | C83H109ClN14O20S4 |
| Molecular Weight | 1786.58 |
| SMILES | C[C@]12[C@@]([C@@H]([C@]3([H])C[C@]([C@@H](/C=C/C=C(CC4=CC(N(C(C[C@@H]2OC([C@H](C)N(C)C(CCSSC[C@@H](C(N)=O)NC([C@H]5NC([C@](NC([C@@H](NC([C@H](NC([C@@H](NC([C@H](CSSC5)NC([C@H](N)CC6=CC=CC=C6)=O)=O)CC7=CC=C(C=C7)O)=O)CC8=CNC9=CC=CC=C89)=O)CCCCN)=O)([H])[C@H](O)C)=O)=O)=O)=O)=O)C)=C(C(OC)=C4)Cl)\C)OC)(NC(O3)=O)O)C)([H])O1 |
| InChI Key | JVPMJFUBODFGNB-UFDFPQQFSA-N |
| Synonym | PEN-221;Maytansine, N2'-deacetyl-N2'-(3-mercapto-1-oxopropyl)-, (N2'→1)-disulfide with D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryptophyl-L-lysyl-L-threonyl-L-cysteinyl-L-cysteinamide cyclic (2→7)-disulfide |
| CAS No. | 1853254-97-3 |
