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CHEBI:233323 - DTAGv-1
| Formula | C68H90N6O14S |
| Net Charge | 0 |
| Average Mass | 1247.563 |
| Monoisotopic Mass | 1246.62357 |
| SMILES | [H][C@]1(O)CN(C(=O)[C@@]([H])(/N=C(\O)CCCCCC/N=C(\O)COc2ccccc2[C@@]([H])(CCc2ccc(OC)c(OC)c2)OC(=O)[C@]2([H])CCCCN2C(=O)[C@@]([H])(CC)c2cc(OC)c(OC)c(OC)c2)C(C)(C)C)[C@]([H])(/C(O)=N/[C@@]([H])(C)c2ccc(-c3scnc3C)cc2)C1 |
| InChI | InChI=1S/C68H90N6O14S/c1-12-49(47-36-57(84-9)61(86-11)58(37-47)85-10)65(79)73-34-20-18-22-51(73)67(81)88-54(31-25-44-26-32-55(82-7)56(35-44)83-8)50-21-16-17-23-53(50)87-40-60(77)69-33-19-14-13-15-24-59(76)72-63(68(4,5)6)66(80)74-39-48(75)38-52(74)64(78)71-42(2)45-27-29-46(30-28-45)62-43(3)70-41-89-62/h16-17,21,23,26-30,32,35-37,41-42,48-49,51-52,54,63,75H,12-15,18-20,22,24-25,31,33-34,38-40H2,1-11H3,(H,69,77)(H,71,78)(H,72,76)/t42-,48+,49-,51-,52-,54+,63+/m0/s1 |
| InChIKey | ANLKEOUWAHUESE-HKVQNHBKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| DTAGv-1 (CHEBI:233323) is a organic molecular entity (CHEBI:50860) |
| Synonyms | Source |
|---|---|
| [(1R)-3-(3,4-dimethoxyphenyl)-1-[2-[2-[[7-[[(2S)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-7-oxoheptyl]amino]-2-oxoethoxy]phenyl]propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate | SUBMITTER |
| 2451573-86-5 | SUBMITTER |
| Registry Numbers | Sources |
|---|---|
| CAS:2451573-86-5 | SUBMITTER |