Account FR 113680
- Catalog No. :
- ACKHTP053
- CAS No. :
- 126088-92-4
- Molecular Formula :
- C35H39N5O6
- Molecular Weight :
- 625.73
IUPAC Name:(2S,3R)-2-acetamido-N-((R)-1-((S)-2-(benzyl(methyl)amino)-3-phenylpropanamido)-3-(1-formyl-1H-indol-3-yl)-1-oxopropan-2-yl)-3-hydroxybutanamide
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Product Information
| Product Name | FR 113680 |
|---|---|
| IUPAC Name | (2S,3R)-2-acetamido-N-((R)-1-((S)-2-(benzyl(methyl)amino)-3-phenylpropanamido)-3-(1-formyl-1H-indol-3-yl)-1-oxopropan-2-yl)-3-hydroxybutanamide |
| Molecular Formula | C35H39N5O6 |
| Molecular Weight | 625.73 |
| SMILES | CC(=O)N[C@H](C(=O)N[C@H](CC1=CN(C=O)C2=C1C=CC=C2)C(=O)NC(=O)[C@H](CC1=CC=CC=C1)N(C)CC1=CC=CC=C1)[C@@H](C)O |
| InChI Key | IMQBANQEQMOBMY-KGLGFYCJSA-N |
| Synonym | FR 113680;L-Phenylalaninamide, N-acetyl-L-threonyl-1-formyl-D-tryptophyl-N-methyl-N-(phenylmethyl)- |
| CAS No. | 126088-92-4 |
Synthetic Route by SureRoute
2. ACKHTP053 Molecular Building Block Synthetic Route
(4R,7R,10R,13S,16R,19R,22S,25S,28S,31R,34R)-22-((1H-indol-3-yl)methyl)-34-amino-31-(4-aminobutyl)-13,25,28-tribenzyl-10,16-bis((R)-1-hydroxyethyl)-7-(hydroxymethyl)-19-(4-((isopropylamino)methyl)benzyl)-9,12,15,18,21,24,27,30,33-nonaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decaazacyclopentatriacontane-4-carboxylic acid
S 16474
(S)-N-((2S,5S,8S,11S,14S)-5-((1H-Indol-3-yl)methyl)-1-amino-2-(4-hydroxybenzyl)-11-((R)-1-hydroxyethyl)-8-(hydroxymethyl)-15-(4-hydroxyphenyl)-1,4,7,10,13-pentaoxo-3,6,9,12-tetraazapentadecan-14-yl)-6-amino-2-((2S,5S,8S,11S)-2,8-bis(3-guanidinopropyl)-11-(4-hydroxybenzyl)-5-(hydroxymethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazatetradecanamido)hexanamide