Products 2802416-72-2
CAS 2802416-72-2 is the registry number for Tezusomant. Offered by: MedChemExpress. Available pack sizes: Get quote.
4-[[(1S,4S,10R,13S,19S,22S,25S,28S,47S,50S,53S,56S)-22-(4-aminobutyl)-10-[[(5S)-6-amino-5-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-(15-carboxypentadecanoylamino)butanoyl]amino]butanoyl]amino]-6-oxohexyl]carbamoyl]-56-(2-amino-2-oxoethyl)-4-[(4-carboxyphenyl)methyl]-19-[(5-hydroxy-1H-indol-3-yl)methyl]-53-(hydroxymethyl)-2,16,16-trimethyl-3,6,12,15,18,21,24,27,39,45,48,51,54,57-tetradecaoxo-13,47,50-tri(propan-2-yl)-8-thia-2,5,11,14,17,20,23,26,37,40,46,49,52,55,58-pentadecazatetracyclo[26.16.14.130,37.031,36]nonapentaconta-30(59),31,33,35-tetraen-25-yl]methyl]benzoic acid (CAS 2802416-72-2) is a chemical compound with the molecular formula C120H171N23O32S and a molecular weight of 2479.8 g/mol. IUPAC name: 4-[[(1S,4S,10R,13S,19S,22S,25S,28S,47S,50S,53S,56S)-22-(4-aminobutyl)-10-[[(5S)-6-amino-5-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-(15-carboxypentadecanoylamino)butanoyl]amino]butanoyl]amino]-6-oxohexyl]carbamoyl]-56-(2-amino-2-oxoethyl)-4-[(4-carboxyphenyl)methyl]-19-[(5-hydroxy-1H-indol-3-yl)methyl]-53-(hydroxymethyl)-2,16,16-trimethyl-3,6,12,15,18,21,24,27,39,45,48,51,54,57-tetradecaoxo-13,47,50-tri(propan-2-yl)-8-thia-2,5,11,14,17,20,23,26,37,40,46,49,52,55,58-pentadecazatetracyclo[26.16.14.130,37.031,36]nonapentaconta-30(59),31,33,35-tetraen-25-yl]methyl]benzoic acid. InChIKey: UUNQJTVHPFMQJB-OMRBBKOSSA-N.
| Molecular formula | C120H171N23O32S |
|---|---|
| Molecular weight | 2479.8 g/mol |
| IUPAC name | 4-[[(1S,4S,10R,13S,19S,22S,25S,28S,47S,50S,53S,56S)-22-(4-aminobutyl)-10-[[(5S)-6-amino-5-[[(4S)-4-carboxy-4-[[(4S)-4-carboxy-4-(15-carboxypentadecanoylamino)butanoyl]amino]butanoyl]amino]-6-oxohexyl]carbamoyl]-56-(2-amino-2-oxoethyl)-4-[(4-carboxyphenyl)methyl]-19-[(5-hydroxy-1H-indol-3-yl)methyl]-53-(hydroxymethyl)-2,16,16-trimethyl-3,6,12,15,18,21,24,27,39,45,48,51,54,57-tetradecaoxo-13,47,50-tri(propan-2-yl)-8-thia-2,5,11,14,17,20,23,26,37,40,46,49,52,55,58-pentadecazatetracyclo[26.16.14.130,37.031,36]nonapentaconta-30(59),31,33,35-tetraen-25-yl]methyl]benzoic acid |
| InChIKey | UUNQJTVHPFMQJB-OMRBBKOSSA-N |
| SMILES | CC(C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]2CC3=CN(CC(=O)NCCCC[C@@H](C(=O)N1)N(C(=O)[C@@H](NC(=O)CSC[C@H](NC(=O)[C@@H](NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CC4=CC=C(C=C4)C(=O)O)CCCCN)CC5=CNC6=C5C=C(C=C6)O)(C)C)C(C)C)C(=O)NCCCC[C@@H](C(=O)N)NC(=O)CC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)CCCCCCCCCCCCCCC(=O)O)CC7=CC=C(C=C7)C(=O)O)C)C8=CC=CC=C38)CC(=O)N)CO)C(C)C |
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