Account (2S,5S,8S,11S,14R,17R,20S,23S,26S)-5-((1H-indol-3-yl)methyl)-20-benzyl-26-(2-(4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl)acetamido)-23-(cyclohexylmethyl)-14-(3-((diaminomethylene)amino)propyl)-11-(4-hydroxybenzyl)-2,17-bis(hydroxymethyl)-8-isobutyl-4,7,10,13,16,19,22,25-octaoxo-3,6,9,12,15,18,21,24-octaazaoctacosanedioic acid
- Catalog No. :
- ACXWYT281
- CAS No. :
- 1820563-84-5
- Molecular Formula :
- C72H102N16O20
- Molecular Weight :
- 1511.70
IUPAC Name:(2S,5S,8S,11S,14R,17R,20S,23S,26S)-5-((1H-indol-3-yl)methyl)-20-benzyl-26-(2-(4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl)acetamido)-23-(cyclohexylmethyl)-14-(3-((diaminomethylene)amino)propyl)-11-(4-hydroxybenzyl)-2,17-bis(hydroxymethyl)-8-isobutyl-4,7,10,13,16,19,22,25-octaoxo-3,6,9,12,15,18,21,24-octaazaoctacosanedioic acid
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Product Information
| Product Name | (2S,5S,8S,11S,14R,17R,20S,23S,26S)-5-((1H-indol-3-yl)methyl)-20-benzyl-26-(2-(4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl)acetamido)-23-(cyclohexylmethyl)-14-(3-((diaminomethylene)amino)propyl)-11-(4-hydroxybenzyl)-2,17-bis(hydroxymethyl)-8-isobutyl-4,7,10,13,16,19,22,25-octaoxo-3,6,9,12,15,18,21,24-octaazaoctacosanedioic acid |
|---|---|
| IUPAC Name | (2S,5S,8S,11S,14R,17R,20S,23S,26S)-5-((1H-indol-3-yl)methyl)-20-benzyl-26-(2-(4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl)acetamido)-23-(cyclohexylmethyl)-14-(3-((diaminomethylene)amino)propyl)-11-(4-hydroxybenzyl)-2,17-bis(hydroxymethyl)-8-isobutyl-4,7,10,13,16,19,22,25-octaoxo-3,6,9,12,15,18,21,24-octaazaoctacosanedioic acid |
| Molecular Formula | C72H102N16O20 |
| Molecular Weight | 1511.70 |
| SMILES | CC(C)C[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CO)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CC1)C(=O)N[C@@H](CC1=CNC2=CC=CC=C12)C(=O)N[C@@H](CO)C(=O)O |
| InChI Key | QYDKPVWTZOEIPR-WKDKGDAESA-N |
| Synonym | NOTA-AE105 |
| CAS No. | 1820563-84-5 |
Synthetic Route by SureRoute
2. ACXWYT281 Molecular Building Block Synthetic Route
CPP2
Human PD-L1 inhibitor II
(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S)-35-((1H-indol-3-yl)methyl)-44-((S)-2-((S)-4-amino-2-((S)-2-amino-3-phenylpropanamido)-4-oxobutanamido)-3-(1H-indol-3-yl)propanamido)-17,32-bis(4-aminobutyl)-14,26-bis(2-carboxyethyl)-5-(carboxymethyl)-23-(3-guanidinopropyl)-8,41-bis(4-hydroxybenzyl)-29,38-bis(hydroxymethyl)-2,20-diisobutyl-11-methyl-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaazahexatetracontanedioic acid