Account MDL 29913
- Catalog No. :
- ACJCMX976
- CAS No. :
- 135721-56-1
- Molecular Formula :
- C40H56N8O6
- Molecular Weight :
- 744.94
IUPAC Name:3-((2S,5S,8S,14S,17S)-5-((1H-indol-3-yl)methyl)-8-benzyl-14,17-diisobutyl-15-methyl-3,6,9,12,18-pentaoxo-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl)propanamide
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Product Information
| Product Name | MDL 29913 |
|---|---|
| IUPAC Name | 3-((2S,5S,8S,14S,17S)-5-((1H-indol-3-yl)methyl)-8-benzyl-14,17-diisobutyl-15-methyl-3,6,9,12,18-pentaoxo-1,4,7,10,13,16-hexaazacyclooctadecan-2-yl)propanamide |
| Molecular Formula | C40H56N8O6 |
| Molecular Weight | 744.94 |
| SMILES | CC(C)C[C@@H]1NC(C)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CCC(N)=O)NC1=O |
| InChI Key | HTXNHRVBQSWFDI-QEQIFPIFSA-N |
| Synonym | M.W. 744.93 C40H56N8O6;MDL 29,913;Glycine, N-(2-amino-4-methylpentyl)-N-methyl-L-leucyl-L-glutaminyl-L-tryptophyl-L-phenylalanyl-, (5→1)-lactam (9CI) |
| CAS No. | 135721-56-1 |
Synthetic Route by SureRoute
2. ACJCMX976 Molecular Building Block Synthetic Route
(3R,6R,9R,12S,15R,18R)-3-((1H-Indol-3-yl)methyl)-12-isobutyl-9,15-diisopropyl-6,18-dimethyl-1,4,7,10,13,16,19-heptaazacyclotricosane-2,5,8,11,14,17,20-heptaone
K-(D-1-Nal)-FwLL-NH2
(3S,6S)-3-((1H-Indol-3-yl)methyl)-6-isobutylpiperazine-2,5-dione