Account (3S,6S,9S,15S,18S,21S)-9-((1H-indol-3-yl)methyl)-21-amino-3-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-18-(4-hydroxybenzyl)-6,15-bis(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-4,7,10,13,16,19-hexaazatricosanedioic acid--2,2,2-trifluoroacetic acid (1/1)
- Catalog No. :
- ACPGWW930
- CAS No. :
- 171486-94-5
- Molecular Formula :
- C51H63F3N10O15S2
- Molecular Weight :
- 1177.25
IUPAC Name:(3S,6S,9S,15S,18S,21S)-9-((1H-indol-3-yl)methyl)-21-amino-3-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-18-(4-hydroxybenzyl)-6,15-bis(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-4,7,10,13,16,19-hexaazatricosanedioic acid--2,2,2-trifluoroacetic acid (1/1)
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Product Information
| Product Name | (3S,6S,9S,15S,18S,21S)-9-((1H-indol-3-yl)methyl)-21-amino-3-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-18-(4-hydroxybenzyl)-6,15-bis(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-4,7,10,13,16,19-hexaazatricosanedioic acid--2,2,2-trifluoroacetic acid (1/1) |
|---|---|
| IUPAC Name | (3S,6S,9S,15S,18S,21S)-9-((1H-indol-3-yl)methyl)-21-amino-3-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-18-(4-hydroxybenzyl)-6,15-bis(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-4,7,10,13,16,19-hexaazatricosanedioic acid--2,2,2-trifluoroacetic acid (1/1) |
| Molecular Formula | C51H63F3N10O15S2 |
| Molecular Weight | 1177.25 |
| SMILES | CSCC[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(N)=O.O=C(O)C(F)(F)F |
| InChI Key | HTIRPVYNGDRDRP-ITZXPNBCSA-N |
| Synonym | Cholecystokinin Octapeptide, desulfated TFA |
| CAS No. | 171486-94-5 |
Synthetic Route by SureRoute
2. ACPGWW930 Molecular Building Block Synthetic Route
(5S,11S,14S,17S)-11-((1H-Indol-3-yl)methyl)-17-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-5-((S)-2-amino-3-(4-hydroxyphenyl)propanamido)-14-(2-(methylthio)ethyl)-6,9,12,15-tetraoxo-2-thia-7,10,13,16-tetraazanonadecan-19-oic acid
(3S,6S,9S,15S,18S,21S)-9-((1H-indol-3-yl)methyl)-21-amino-3-(((S)-1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl)-18-(4-hydroxybenzyl)-6,15-bis(2-(methylthio)ethyl)-5,8,11,14,17,20-hexaoxo-4,7,10,13,16,19-hexaazatricosanedioic acid
CCK (26-31) (non-sulfated)