Account TAC 363
- Catalog No. :
- ACOECF413
- CAS No. :
- 172081-08-2
- Molecular Formula :
- C38H48N8O6
- Molecular Weight :
- 712.85
IUPAC Name:(S)-N1-((S)-1-(2-benzyl-2-((2-(benzyloxy)ethyl)carbamoyl)hydrazineyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-2-(3-(tert-butyl)ureido)pentanediamide
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Product Information
| Product Name | TAC 363 |
|---|---|
| IUPAC Name | (S)-N1-((S)-1-(2-benzyl-2-((2-(benzyloxy)ethyl)carbamoyl)hydrazineyl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-2-(3-(tert-butyl)ureido)pentanediamide |
| Molecular Formula | C38H48N8O6 |
| Molecular Weight | 712.85 |
| SMILES | O=C(N[C@@H](CC1=CNC2=C1C=CC=C2)C(NN(CC3=CC=CC=C3)C(NCCOCC4=CC=CC=C4)=O)=O)[C@@H](NC(NC(C)(C)C)=O)CCC(N)=O |
| InChI Key | GBIJRCYDQXCMOU-ACHIHNKUSA-N |
| Synonym | L-Tryptophan, N2-[[(1,1-dimethylethyl)amino]carbonyl]-L-glutaminyl-, 2-[[[2-(phenylmethoxy)ethyl]amino]carbonyl]-2-(phenylmethyl)hydrazide |
| CAS No. | 172081-08-2 |
Synthetic Route by SureRoute
2. ACOECF413 Molecular Building Block Synthetic Route
TAK-448 TFA
(S)-2-((2S,4R)-1-(acetyl-D-tyrosyl)-4-hydroxypyrrolidine-2-carboxamido)-N1-((2S,3R)-1-(((S)-1-(2-(((S)-1-(((S)-1-(((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-5-(2-methylguanidino)-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)carbamoyl)hydrazineyl)-1-oxo-3-phenylpropan-2-yl)amino)-3-hydroxy-1-oxobutan-2-yl)succinamide, acetate salt
(S)-N-((6S,9S,12R,15S,18S,21S,24S)-21-((1H-Indol-3-yl)methyl)-1,1-diamino-6-((S)-2-(2-carbamoylhydrazine-1-carbonyl)pyrrolidine-1-carbonyl)-15-(4-hydroxybenzyl)-12,18-bis(hydroxymethyl)-25-(1H-imidazol-5-yl)-9-isobutyl-8,11,14,17,20,23-hexaoxo-2,7,10,13,16,19,22-heptaazapentacos-1-en-24-yl)-5-oxopyrrolidine-2-carboxamide