Account (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
- Catalog No. :
- ACJAEW645
- CAS No. :
- 140896-21-5
- Molecular Formula :
- C100H132N26O13
- Molecular Weight :
- 1906.32
IUPAC Name:(S)-1-(L-isoleucyl-L-leucyl)-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)pyrrolidine-2-carboxamide
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (S)-1-(L-isoleucyl-L-leucyl)-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)pyrrolidine-2-carboxamide |
| MDL No. | MFCD00214306 |
| Molecular Formula | C100H132N26O13 |
| Molecular Weight | 1906.32 |
| SMILES | O=C([C@H](CC1=CNC2=C1C=CC=C2)NC([C@H](CC3=CNC4=C3C=CC=C4)NC([C@H]5N(C([C@H](CC6=CNC7=C6C=CC=C7)NC([C@@H](NC([C@H](CC8=CNC9=C8C=CC=C9)NC([C@H]%10N(C([C@@H](NC([C@H]([C@H](CC)C)N)=O)CC(C)C)=O)CCC%10)=O)=O)CCCCN)=O)=O)CCC5)=O)=O)N%11[C@H](C(N[C@@H](CC%12=CNC%13=C%12C=CC=C%13)C(N[C@H](C(N[C@@H](CCCNC(N)=N)C(N)=O)=O)CCCNC(N)=N)=O)=O)CCC%11 |
| InChI Key | USSYUMHVHQSYNA-SLDJZXPVSA-N |
| Synonym | Ile-Leu-Pro-Trp-Lys-Trp-Pro-Trp-Trp-Pro-Trp-Arg-Arg-NH2 |
| CAS No. | 140896-21-5 |
| PubChem CID | 16129733 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACJAEW645 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)-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
(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