Account PMX 205
- Catalog No. :
- ACYJQY519
- CAS No. :
- 514814-49-4
- Molecular Formula :
- C45H62N10O6
- Molecular Weight :
- 839.05
IUPAC Name:N-((3R,6S,9S,15S,20aS)-6-((1H-indol-3-yl)methyl)-3-(cyclohexylmethyl)-9-(3-((diaminomethylene)amino)propyl)-1,4,7,10,16-pentaoxoicosahydropyrrolo[1,2-a][1,4,7,10,13]pentaazacyclooctadecin-15-yl)-3-phenylpropanamide
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Product Information
| Product Name | PMX 205 |
|---|---|
| IUPAC Name | N-((3R,6S,9S,15S,20aS)-6-((1H-indol-3-yl)methyl)-3-(cyclohexylmethyl)-9-(3-((diaminomethylene)amino)propyl)-1,4,7,10,16-pentaoxoicosahydropyrrolo[1,2-a][1,4,7,10,13]pentaazacyclooctadecin-15-yl)-3-phenylpropanamide |
| Molecular Formula | C45H62N10O6 |
| Molecular Weight | 839.05 |
| SMILES | [H][C@@]1(C(N[C@H](CC2CCCCC2)C(N3)=O)=O)CCCN1C([C@@H](NC(CCC4=CC=CC=C4)=O)CCCNC([C@H](CCCNC(N)=N)NC([C@@H]3CC5=CNC6=CC=CC=C56)=O)=O)=O |
| InChI Key | VATFHFJULBPYLM-ILOBPARPSA-N |
| Synonym | Hydrocinnamate;PMX-205;deamino-Phe-Orn(1)-Pro-D-Cha-Trp-Arg-(1);L-Arginine, N2-(1-oxo-3-phenylpropyl)-L-ornithyl-L-prolyl-3-cyclohexyl-D-alanyl-L-tryptophyl-, (5→1)-lactam;PMX 205 （TFA） |
| CAS No. | 514814-49-4 |
Synthetic Route by SureRoute
2. ACYJQY519 Molecular Building Block Synthetic Route
(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
PMX 53 acetate(219639-75-5 free base)
(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