Account Ici 216140
- Catalog No. :
- ACFAQO820
- CAS No. :
- 124001-41-8
- Molecular Formula :
- C45H65N13O8
- Molecular Weight :
- 916.10
IUPAC Name:(S)-2-((2S,5R,8S,11S,14S,17S)-2,17-bis((1H-imidazol-5-yl)methyl)-14-((1H-indol-3-yl)methyl)-8-isopropyl-5,11,20-trimethyl-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazahenicosanamido)-N,4-dimethylpentanamide
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Product Information
| Product Name | Ici 216140 |
|---|---|
| IUPAC Name | (S)-2-((2S,5R,8S,11S,14S,17S)-2,17-bis((1H-imidazol-5-yl)methyl)-14-((1H-indol-3-yl)methyl)-8-isopropyl-5,11,20-trimethyl-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazahenicosanamido)-N,4-dimethylpentanamide |
| MDL No. | MFCD00153815 |
| Molecular Formula | C45H65N13O8 |
| Molecular Weight | 916.10 |
| SMILES | CC(C)C[C@H](NC([C@H](CC1=CNC=N1)NC([C@@H](C)NC([C@H](C(C)C)NC([C@H](C)NC([C@H](CC2=CNC3=C2C=CC=C3)NC([C@H](CC4=CNC=N4)NC(C(C)C)=O)=O)=O)=O)=O)=O)=O)C(NC)=O |
| InChI Key | GRDFIRBNYAQRAT-QHOQUQLNSA-N |
| Synonym | ICI 216,140;(CH3)2CHCO-HIS-TRP-ALA-VAL-D-ALA-HIS-LEU-NHCH3;ICI 216,140 SYNTHETIC >95% POTENT IN VIV O ANTAGO;N-(2-Methyl-1-oxopropyl)-L-His-L-Trp-L-Ala-L-Val-D-Ala-L-His-N-methyl-L-Leu-NH2;(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(2-methylpropanoylamino)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-N,4-dimethylpentanamide;m 216140;m216140;m-216140 |
| CAS No. | 124001-41-8 |
Synthetic Route by SureRoute
2. ACFAQO820 Molecular Building Block Synthetic Route
(R)-6-amino-2-((R)-2-((S)-2-amino-3-(1H-imidazol-5-yl)propanamido)-3-(1H-indol-3-yl)propanamido)-N-((S)-1-(((R)-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)hexanamide
(S)-N1-((2S,5S,8S,11S,14S,17S,20S)-14-((1H-imidazol-5-yl)methyl)-17-benzyl-20-carbamoyl-1-(1H-indol-3-yl)-8-isopropyl-5,11-dimethyl-3,6,9,12,15,18-hexaoxo-4,7,10,13,16,19-hexaazatetracosan-2-yl)-2-((R)-2-amino-3-(4-hydroxyphenyl)propanamido)pentanediamide
6-amino-2-(5,11-bis((1H-indol-3-yl)methyl)-14-amino-2-benzyl-15-(1H-imidazol-5-yl)-8-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecanamido)hexanamide