CAS 3085809-95-3 is the registry number for CPI1, 99.30%. Offered by: MedChemExpress. Available pack sizes: 50 mg, 10 mg, 1 mg, 5 mg, 25 mg.
(3R,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,45S,48S,51R)-39-(2-amino-2-oxoethyl)-18-(3-amino-3-oxopropyl)-15,48-dibenzyl-21-(2-carboxyethyl)-12-(carboxymethyl)-6-[(1R)-1-hydroxyethyl]-9-(hydroxymethyl)-24,27,51-tris[(4-hydroxyphenyl)methyl]-33-(1H-imidazol-4-ylmethyl)-30,45-bis(1H-indol-3-ylmethyl)-36-(2-methylpropyl)-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53-heptadecaoxo-1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-heptadecazacyclotetrapentacontane-3-carboxylic acid (CAS 3085809-95-3) is a chemical compound with the molecular formula C111H131N23O30S and a molecular weight of 2299.4 g/mol. IUPAC name: (3R,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,45S,48S,51R)-39-(2-amino-2-oxoethyl)-18-(3-amino-3-oxopropyl)-15,48-dibenzyl-21-(2-carboxyethyl)-12-(carboxymethyl)-6-[(1R)-1-hydroxyethyl]-9-(hydroxymethyl)-24,27,51-tris[(4-hydroxyphenyl)methyl]-33-(1H-imidazol-4-ylmethyl)-30,45-bis(1H-indol-3-ylmethyl)-36-(2-methylpropyl)-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53-heptadecaoxo-1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-heptadecazacyclotetrapentacontane-3-carboxylic acid. InChIKey: VKDWYSICSHFUSA-OWOSNWKNSA-N.
| Molecular formula | C111H131N23O30S |
|---|---|
| Molecular weight | 2299.4 g/mol |
| IUPAC name | (3R,6S,9S,12S,15S,18S,21S,24S,27S,30S,33S,36S,39S,45S,48S,51R)-39-(2-amino-2-oxoethyl)-18-(3-amino-3-oxopropyl)-15,48-dibenzyl-21-(2-carboxyethyl)-12-(carboxymethyl)-6-[(1R)-1-hydroxyethyl]-9-(hydroxymethyl)-24,27,51-tris[(4-hydroxyphenyl)methyl]-33-(1H-imidazol-4-ylmethyl)-30,45-bis(1H-indol-3-ylmethyl)-36-(2-methylpropyl)-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53-heptadecaoxo-1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52-heptadecazacyclotetrapentacontane-3-carboxylic acid |
| InChIKey | VKDWYSICSHFUSA-OWOSNWKNSA-N |
| SMILES | C[C@H]([C@H]1C(=O)N[C@@H](CSCC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)CC(=O)O)CC2=CC=CC=C2)CCC(=O)N)CCC(=O)O)CC3=CC=C(C=C3)O)CC4=CC=C(C=C4)O)CC5=CNC6=CC=CC=C65)CC7=CNC=N7)CC(C)C)CC(=O)N)CC8=CNC9=CC=CC=C98)CC1=CC=CC=C1)CC1=CC=C(C=C1)O)C(=O)O)O |
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