Products 3090687-02-5
CAS 3090687-02-5 is the registry number for UPG-111. Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-2-[[(4R,7S,10S,13R,16S,19R)-19-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-amino-4-hydroxybutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-10-(3-aminopropyl)-16-benzyl-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylbutanoic acid (CAS 3090687-02-5) is a chemical compound with the molecular formula C64H87N13O17S2 and a molecular weight of 1374.6 g/mol. IUPAC name: (2S)-2-[[(4R,7S,10S,13R,16S,19R)-19-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-amino-4-hydroxybutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-10-(3-aminopropyl)-16-benzyl-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylbutanoic acid. InChIKey: QTEOWNWISHWGGG-WKPXYFNOSA-N.
| Molecular formula | C64H87N13O17S2 |
|---|---|
| Molecular weight | 1374.6 g/mol |
| IUPAC name | (2S)-2-[[(4R,7S,10S,13R,16S,19R)-19-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-amino-4-hydroxybutanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-10-(3-aminopropyl)-16-benzyl-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-20,20-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]amino]-3-methylbutanoic acid |
| InChIKey | QTEOWNWISHWGGG-WKPXYFNOSA-N |
| SMILES | C[C@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC2(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)CC3=CC=C(C=C3)O)CCCN)CC4=CNC5=CC=CC=C54)CC6=CC=CC=C6)NC(=O)[C@H](CCO)N)O |
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