Account (5S,8S,11S)-11-Acetamido-36-hydroxy-8-(4-hydroxybenzyl)-7,10-dioxo-2-oxa-6,9-diaza-1(1,4),3(1,3)-dibenzenacyclododecaphane-5-carboxylic acid
- Catalog No. :
- ACLJJC348
- CAS No. :
- 108890-90-0
- Molecular Formula :
- C29H29N3O8
- Molecular Weight :
- 547.56
IUPAC Name:(5S,8S,11S)-11-acetamido-36-hydroxy-8-(4-hydroxybenzyl)-7,10-dioxo-2-oxa-6,9-diaza-1(1,4),3(1,3)-dibenzenacyclododecaphane-5-carboxylic acid
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Product Information
| Product Name | (5S,8S,11S)-11-Acetamido-36-hydroxy-8-(4-hydroxybenzyl)-7,10-dioxo-2-oxa-6,9-diaza-1(1,4),3(1,3)-dibenzenacyclododecaphane-5-carboxylic acid |
|---|---|
| IUPAC Name | (5S,8S,11S)-11-acetamido-36-hydroxy-8-(4-hydroxybenzyl)-7,10-dioxo-2-oxa-6,9-diaza-1(1,4),3(1,3)-dibenzenacyclododecaphane-5-carboxylic acid |
| Molecular Formula | C29H29N3O8 |
| Molecular Weight | 547.56 |
| SMILES | CC(=O)N[C@H]1CC2=CC=C(C=C2)OC2=C(O)C=CC(=C2)C[C@@H](C(=O)O)NC(=O)[C@H](CC2=CC=C(O)C=C2)NC1=O |
| InChI Key | DMSXHRHXAOCALT-HJOGWXRNSA-N |
| Synonym | K-13 (ACE inhib);(9S,12S,15S)-15-(Acetylamino)-4-hydroxy-12-[(4-hydroxyphenyl)methyl]-11,14-dioxo-2-oxa-10,13-diazatricyclo[15.2.2.13,7]docosa-3,5,7(22),17,19(1),20-hexene-9-carboxylic acid;K-13(enzyme inhibitor);L-Tyrosine, N-acetyl-L-tyrosyl-L-tyrosyl-3-hydroxy-, cyclic (1→33)-ether |
| CAS No. | 108890-90-0 |
Synthetic Route by SureRoute
2. ACLJJC348 Molecular Building Block Synthetic Route
(E)-2-(((S)-2-((Z)-2-Acetamido-3-(4-hydroxyphenyl)acrylamido)-3-(4-hydroxyphenyl)propyl)amino)-3-(3,4-dihydroxyphenyl)acrylic acid
(S)-2-((S)-2-((S)-2-Amino-3-(4-hydroxyphenyl)propanamido)-3-(4-hydroxyphenyl)propanamido)-3-(4-hydroxyphenyl)propanoic acid
H-Tyr-Phe-Pheacetate