Account Anditixafortide
- Catalog No. :
- ACBYDB863
- CAS No. :
- 1821136-83-7
- Molecular Formula :
- C60H79IN14O14
- Molecular Weight :
- 1347.28
IUPAC Name:2,2',2''-(10-(2-((4-((3-((2R,5S,8S,14R)-5-(3-((diaminomethylene)amino)propyl)-14-(4-hydroxy-3-iodobenzyl)-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)propyl)carbamoyl)benzyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
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Product Information
| Product Name | Anditixafortide |
|---|---|
| IUPAC Name | 2,2',2''-(10-(2-((4-((3-((2R,5S,8S,14R)-5-(3-((diaminomethylene)amino)propyl)-14-(4-hydroxy-3-iodobenzyl)-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)propyl)carbamoyl)benzyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid |
| Molecular Formula | C60H79IN14O14 |
| Molecular Weight | 1347.28 |
| SMILES | O=C(NCC1=CC=C(C(NCCC[C@H](C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC2=CC=C3C=CC=CC3=C2)C(NCC(N[C@@H]4CC5=CC=C(O)C(I)=C5)=O)=O)=O)=O)N(C)C4=O)=O)C=C1)CN6CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC6 |
| InChI Key | AZOFCLCXFADPRO-JRTLPCBOSA-N |
| Synonym | Anditixafortide;Cyclo[3-(2-naphthalenyl)-L-alanylglycyl-3-iodo-D-tyrosyl-N2-methyl-N5-[4-[[[2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-yl]acetyl]amino]methyl]benzoyl]-D-ornithyl-L-arginyl] |
| CAS No. | 1821136-83-7 |
Synthetic Route by SureRoute
2. ACBYDB863 Molecular Building Block Synthetic Route
2,2',2''-(10-(2-((4-((3-((2R,5S,8S,14R)-5-(3-Guanidinopropyl)-14-(4-hydroxybenzyl)-1-methyl-8-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentaazacyclopentadecan-2-yl)propyl)carbamoyl)benzyl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
BIM 21009
N-Benzoyl-L-tyrosyl-L-argininamide