Account NH-23-C2
- Catalog No. :
- ACDQIS435
- CAS No. :
- 2887528-09-6
- Molecular Formula :
- C43H51N5O13
- Molecular Weight :
- 845.90
IUPAC Name:(5S,8S,11S,14S)-11-((R)-1-(benzyloxy)ethyl)-5-(carboxymethyl)-1-(2,6-dimethylphenyl)-8-(hydroxymethyl)-14-((S)-indoline-2-carboxamido)-1,4,7,10,13-pentaoxo-2-oxa-6,9,12-triazaoctadecan-18-oic acid
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Product Information
| Product Name | NH-23-C2 |
|---|---|
| IUPAC Name | (5S,8S,11S,14S)-11-((R)-1-(benzyloxy)ethyl)-5-(carboxymethyl)-1-(2,6-dimethylphenyl)-8-(hydroxymethyl)-14-((S)-indoline-2-carboxamido)-1,4,7,10,13-pentaoxo-2-oxa-6,9,12-triazaoctadecan-18-oic acid |
| Molecular Formula | C43H51N5O13 |
| Molecular Weight | 845.90 |
| SMILES | CC1=C(C(=O)OCC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@@H]2CC3=C(C=CC=C3)N2)[C@@H](C)OCC2=CC=CC=C2)C(C)=CC=C1 |
| InChI Key | HKBHSSGOARBAAI-AWQWFOASSA-N |
| CAS No. | 2887528-09-6 |
Synthetic Route by SureRoute
2. ACDQIS435 Molecular Building Block Synthetic Route
(4S,7S,10S,13S)-13-(2-((2,6-Dimethylbenzoyl)oxy)acetyl)-4-(4-hydroxybenzyl)-7-isopropyl-10-methyl-2,5,8,11-tetraoxo-3,6,9,12-tetraazapentadecan-15-oic acid
GB111-NH2
(S)-7-Amino-3-((S)-2-(((benzyloxy)carbonyl)amino)-3-phenylpropanamido)-2-oxoheptyl 2,4,6-trimethylbenzoate 2,2,2-trifluoroacetate