U85548e
2-[[(2S,3S)-2-[[(4S,5S)-5-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-7-methyl-2-propan-2-yloctanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid
| Molecular Formula | C40H73N9O12 |
|---|---|
| Molecular Weight | 872.1 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 365.0 A2 |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 29 |
| Exact Mass | 871.53784 |
| Heavy Atoms | 61 |
| Complexity | 1510.0 |
Chemical Identifiers
| CAS Number | 124020-62-8 |
|---|---|
| SMILES | CCC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC(C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)C)N)O)C(C)C |
| InChIKey | BURQLNQHSQGPEJ-OGMXQXBRSA-N |
📖 Product Overview
U85548e (CAS: 124020-62-8) is a chemical compound with molecular formula C40H73N9O12 and molecular weight 872.1 g/mol. Its IUPAC systematic name is 2-[[(2S,3S)-2-[[(4S,5S)-5-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-hydroxy-7-methyl-2-propan-2-yloctanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoic acid.
BURQLNQHSQGPEJ-OGMXQXBRSA-N.
SMILES: CCC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CC(C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C(CO)NC(=O)C(C(C)C)N)O)C(C)C.
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