Account Cyclotheonamide A
- Catalog No. :
- ACFSUN164
- CAS No. :
- 129033-04-1
- Molecular Formula :
- C36H45N9O8
- Molecular Weight :
- 731.81
IUPAC Name:N-((3S,7R,10S,16S,21aS,E)-7-benzyl-3-(3-guanidinopropyl)-10-(4-hydroxybenzyl)-1,4,5,8,13,17-hexaoxo-2,3,4,5,6,7,8,9,10,13,14,15,16,17,19,20,21,21a-octadecahydro-1H-pyrrolo[2,1-j][1,4,8,11,15]pentaazacyclononadecin-16-yl)formamide
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Product Information
| Product Name | Cyclotheonamide A |
|---|---|
| IUPAC Name | N-((3S,7R,10S,16S,21aS,E)-7-benzyl-3-(3-guanidinopropyl)-10-(4-hydroxybenzyl)-1,4,5,8,13,17-hexaoxo-2,3,4,5,6,7,8,9,10,13,14,15,16,17,19,20,21,21a-octadecahydro-1H-pyrrolo[2,1-j][1,4,8,11,15]pentaazacyclononadecin-16-yl)formamide |
| Molecular Formula | C36H45N9O8 |
| Molecular Weight | 731.81 |
| SMILES | N=C(N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC=O)CNC(=O)/C=C/[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)C1=O |
| InChI Key | CDWXSPKJKIUEQF-BIXWYCRZSA-N |
| Synonym | cyclotheonamide A;Cyclo[(2S)-2-(formylamino)-β-alanyl-L-prolyl-(3S)-3-amino-6-[(aminoiminomethyl)amino]-2-oxohexanoyl-D-phenylalanyl-(2E,4S)-4-amino-5-(4-hydroxyphenyl)-2-pentenoyl] |
| CAS No. | 129033-04-1 |
Synthetic Route by SureRoute
2. ACFSUN164 Molecular Building Block Synthetic Route
2-((3S,6S,9S,15S,18S,21S,24S,29aR)-3-(4-aminobutyl)-9-(3-guanidinopropyl)-6,24-bis(4-hydroxybenzyl)-18-isobutyl-2,21-dimethyl-1,4,7,10,13,16,19,22,25-nonaoxooctacosahydro-1H-pyrrolo[1,2-a][1,4,7,10,13,16,19,22,25]nonaazacycloheptacosin-15-yl)acetic acid
Neuromedin U-8 (porcine)
2,2',2''-((3R,6S,13S,16R,19R,22S,27aS)-22-(3-amino-3-oxopropyl)-16-(4-hydroxybenzyl)-6-(hydroxymethyl)-9-(9-methyldecyl)-1,4,7,11,14,17,20,23-octaoxohexacosahydro-1H-pyrrolo[2,1-i][1,4,7,10,13,16,19,22]octaazacyclopentacosine-3,13,19-triyl)triacetamide