Bottromycin B2
methyl 3-[[2-[[2-[[amino-[1-[2-[[3,3-dimethyl-2-(4-methylpent-2-enoylamino)butanoyl]amino]-3-methylbutanoyl]pyrrolidin-2-yl]methylidene]amino]acetyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate
Also Known As: Bottromycin B2|b-Alanine,N-[(2S)-1-amino-2-[(glycyl-L-prolyl-L-valyl)amino]-3,3-dimethylbutylidene]-3-methyl-L-valyl-(bS)-b-methyl-L-phenylalanyl-3-(2-thiazolyl)-, methyl ester,cyclic (1®1')-imine, (3R)-
| Molecular Formula | C41H60N8O7S |
|---|---|
| Molecular Weight | 808.43054 g/mol |
| LogP | 3.3841 |
| Topological Polar Surface Area | 214.28 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Exact Mass | 808.43054 |
| Monoisotopic Mass | 808.43054 |
| Heavy Atoms | 57 |
| Complexity | 1740.2937 |
Chemical Identifiers
| CAS Number | 11044-38-5 |
|---|---|
| SMILES | CC(C)C=CC(=O)NC(C(=O)NC(C(C)C)C(=O)N1CCCC1C(=NCC(=O)NC(C(C)C2=CC=CC=C2)C(=O)NC(CC(=O)OC)C3=NC=CS3)N)C(C)(C)C |
Product Overview
Bottromycin B2 (CAS 11044-38-5), with molecular formula C41H60N8O7S and molecular weight 808.43054 g/mol. IUPAC: methyl 3-[[2-[[2-[[amino-[1-[2-[[3,3-dimethyl-2-(4-methylpent-2-enoylamino)butanoyl]amino]-3-methylbutanoyl]pyrrolidin-2-yl]methylidene]amino]acetyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate.
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