Account (S)-1-(L-isoleucyl-L-leucyl-L-arginyl-L-tryptophyl)-N-((S)-1-(((S)-1-((S)-2-(((S)-1-(((S)-1-(((S)-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
- Catalog No. :
- ACQPQM814
- CAS No. :
- 204248-78-2
- Molecular Formula :
- C90H127N27O12
- Molecular Weight :
- 1779.18
IUPAC Name:(S)-1-(L-isoleucyl-L-leucyl-L-arginyl-L-tryptophyl)-N-((S)-1-(((S)-1-((S)-2-(((S)-1-(((S)-1-(((S)-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide
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Product Information
| Product Name | (S)-1-(L-isoleucyl-L-leucyl-L-arginyl-L-tryptophyl)-N-((S)-1-(((S)-1-((S)-2-(((S)-1-(((S)-1-(((S)-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide |
|---|---|
| IUPAC Name | (S)-1-(L-isoleucyl-L-leucyl-L-arginyl-L-tryptophyl)-N-((S)-1-(((S)-1-((S)-2-(((S)-1-(((S)-1-(((S)-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide |
| Molecular Formula | C90H127N27O12 |
| Molecular Weight | 1779.18 |
| SMILES | CC[C@H](C)[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(N)=O |
| InChI Key | MVPAMLBUDIFYGK-BHDRXCTLSA-N |
| Synonym | Omiganan | L-Isoleucyl-L-leucyl-L-arginyl-L-tryptophyl-L-prolyl-L-tryptophyl-L-tryptophyl-L-prolyl-L-tryptophyl-L-arginyl-L-arginyl-L-lysinamide | CHEMBL1615933 | UNII-618SLL9VBS | DB06610 | Omiganan [INN] | L-LYSINAMIDE, L-ISOLEUCYL-L-LEUCYL-L-ARGINYL-L- |
| CAS No. | 204248-78-2 |
| PubChem CID | 16131445 |
Synthetic Route by SureRoute
2. ACQPQM814 Molecular Building Block Synthetic Route
(S)-1-(L-isoleucyl-L-leucyl-L-arginyl-L-tryptophyl)-N-((S)-1-(((S)-1-((S)-2-(((S)-1-(((S)-1-(((S)-1-(((S)-1,6-diamino-1-oxohexan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)pyrrolidine-2-carboxamide pentahydrochloride
(S)-N-((S)-1-(((S)-6-Amino-1-(((S)-1-((S)-2-(((S)-1-(((S)-1-((S)-2-(((S)-1-(((S)-1-(((S)-1-amino-5-guanidino-1-oxopentan-2-yl)amino)-5-guanidino-1-oxopentan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)carbamoyl)pyrrolidin-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)amino)-1-oxohexan-2-yl)amino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-1-((S)-2-((2S,3S)-2-amino-3-methylpentanamido)-4-methylpentanoyl)pyrrolidine-2-carboxamide
(S)-N-((3R,6S,9S,15S,20aS)-6-((1H-Indol-3-yl)methyl)-3-(cyclohexylmethyl)-9-(3-guanidinopropyl)-1,4,7,10,16-pentaoxoicosahydropyrrolo[1,2-a][1,4,7,10,13]pentaazacyclooctadecin-15-yl)-2-acetamido-3-phenylpropanamide