Substrate Report for: Bottromycin-A2
Bottromycin-A2 | Type | Antibiotic |
| | Propionate |
| | tert-Butyl |
| | Azabicyclo |
| Other_Name (5) |
| Chemical_Nomenclature | methyl 3-[[2-[[2-[(6-tert-butyl-13-methyl-2,8,11-trioxo-9-propan-2-yl-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl)amino]-3,3-dimethylbutanoyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate |
| Formula | C42H62N8O7S |
| MW | 823.06 |
| |
| Paper | Sikandar_2020_Nat.Chem.Biol_16_1013 |
| Structure | 6T6Y |
| Comment | Sikandar A, Franz L, Adam S, Santos-Aberturas J, Horbal L, Luzhetskyy A, Truman AW, Kalinina OV, Koehnke J. |
| Gene_locus | 9actn-k4mhv9 |
| CID | 3081434 |
| Family | BotH |
| InChIKey | KSIZLOPUXFSFNR-XZNJZDOZSA-N |
| | KSIZLOPUXFSFNR-UHFFFAOYSA-N |
| CanonicalSMILES | CC1CCN2C1C(=O)NC(C(=O)NC(C(=NCC2=O)NC(C(=O)NC(C(C)C3=CC=CC=C3)C(=O)NC(CC(=O)OC)C4=NC=CS4)C(C)(C)C)C(C)(C)C)C(C)C |
| InChI | InChI=1S/C42H62N8O7S/c1-23(2)30-36(53)49-33(41(5,6)7)35(44-22-28(51)50-19-17-24(3)32(50)38(55)46-30)48-34(42(8,9)10)39(56)47-31(25(4)26-15-13-12-14-16-26)37(54)45-27(21-29(52)57-11)40-43-18-20-58-40/h12-16,18,20,23-25,27,30-34H,17,19,21-22H2,1-11H3,(H,44,48)(H,45,54)(H,46,55)(H,47,56)(H,49,53)/t24-,25+,27-,30+,31+,32+,33-,34-/m1/s1 |
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