Account (3S,6S,9S,12S,15S,18S,21S,24S)-24-((1H-imidazol-5-yl)methyl)-6-(2-amino-2-oxoethyl)-1-((S)-1-(((S)-2-amino-5-((diaminomethylene)amino)pentanoyl)-L-valyl-L-aspartyl)pyrrolidin-2-yl)-12-(4-aminobutyl)-9-benzyl-21-(hydroxymethyl)-15,18-diisobutyl-3-isopropyl-1,4,7,10,13,16,19,22-octaoxo-2,5,8,11,14,17,20,23-octaazapentacosan-25-oic acid--2,2,2-trifluoroacetic acid (1/1)
- Catalog No. :
- ACLSFD320
- CAS No. :
- 1431329-51-9
- Molecular Formula :
- C67H106F3N19O19
- Molecular Weight :
- 1538.69
IUPAC Name:(3S,6S,9S,12S,15S,18S,21S,24S)-24-((1H-imidazol-5-yl)methyl)-6-(2-amino-2-oxoethyl)-1-((S)-1-(((S)-2-amino-5-((diaminomethylene)amino)pentanoyl)-L-valyl-L-aspartyl)pyrrolidin-2-yl)-12-(4-aminobutyl)-9-benzyl-21-(hydroxymethyl)-15,18-diisobutyl-3-isopropyl-1,4,7,10,13,16,19,22-octaoxo-2,5,8,11,14,17,20,23-octaazapentacosan-25-oic acid--2,2,2-trifluoroacetic acid (1/1)
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Product Information
| Product Name | (3S,6S,9S,12S,15S,18S,21S,24S)-24-((1H-imidazol-5-yl)methyl)-6-(2-amino-2-oxoethyl)-1-((S)-1-(((S)-2-amino-5-((diaminomethylene)amino)pentanoyl)-L-valyl-L-aspartyl)pyrrolidin-2-yl)-12-(4-aminobutyl)-9-benzyl-21-(hydroxymethyl)-15,18-diisobutyl-3-isopropyl-1,4,7,10,13,16,19,22-octaoxo-2,5,8,11,14,17,20,23-octaazapentacosan-25-oic acid--2,2,2-trifluoroacetic acid (1/1) |
|---|---|
| IUPAC Name | (3S,6S,9S,12S,15S,18S,21S,24S)-24-((1H-imidazol-5-yl)methyl)-6-(2-amino-2-oxoethyl)-1-((S)-1-(((S)-2-amino-5-((diaminomethylene)amino)pentanoyl)-L-valyl-L-aspartyl)pyrrolidin-2-yl)-12-(4-aminobutyl)-9-benzyl-21-(hydroxymethyl)-15,18-diisobutyl-3-isopropyl-1,4,7,10,13,16,19,22-octaoxo-2,5,8,11,14,17,20,23-octaazapentacosan-25-oic acid--2,2,2-trifluoroacetic acid (1/1) |
| Molecular Formula | C67H106F3N19O19 |
| Molecular Weight | 1538.69 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(C)C)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O.O=C(O)C(F)(F)F |
| InChI Key | YOAPGJLBELYWHN-WRVANEEBSA-N |
| Synonym | RVD-Hpα TFA |
| CAS No. | 1431329-51-9 |
Synthetic Route by SureRoute
2. ACLSFD320 Molecular Building Block Synthetic Route
(2S,5S,8S,11S,14S,17S)-2-((1H-imidazol-5-yl)methyl)-17-amino-5-((S)-sec-butyl)-1-((S)-2-(((S)-1-carboxy-2-phenylethyl)carbamoyl)pyrrolidin-1-yl)-14-(3-((diaminomethylene)amino)propyl)-8-(4-hydroxybenzyl)-11-isopropyl-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid--2,2,2-trifluoroacetic acid (1/1)
(2S,5S,8S,11S,14S,17S,20S)-20-((S)-2-((S)-2-((S)-2-((S)-1-(L-glutamyl-L-asparaginylglycyl-L-leucyl)pyrrolidine-2-carboxamido)-3-methylbutanamido)-3-(1H-imidazol-4-yl)propanamido)-4-methylpentanamido)-17-(3-amino-3-oxopropyl)-8-benzyl-11-((S)-sec-butyl)-2,5-bis(3-guanidinopropyl)-14-(hydroxymethyl)-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazadocosanedioic acid
(2S,5S,8S,11S,14S,17S)-2-((1H-imidazol-5-yl)methyl)-17-amino-5-((R)-sec-butyl)-1-((R)-2-(((S)-1-(((S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl)amino)-1-oxo-3-phenylpropan-2-yl)carbamoyl)pyrrolidin-1-yl)-14-(3-((diaminomethylene)amino)propyl)-8-(4-hydroxybenzyl)-11-isopropyl-1,4,7,10,13,16-hexaoxo-3,6,9,12,15-pentaazanonadecan-19-oic acid