Bottromycin-A2
General
Type : Antibiotic || Propionate || tert-Butyl || Azabicyclo
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
Canonical SMILES : 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
InChIKey : KSIZLOPUXFSFNR-XZNJZDOZSA-N || KSIZLOPUXFSFNR-UHFFFAOYSA-N
Other name(s) : MQH, Bottromycin, Bottromycin A(2), SCHEMBL9753994, Bottromycic A2 acid, methyl ester
MW : 823.06
Formula : C42H62N8O7S
CAS_number :
PubChem :
UniChem :
Iuphar :
Target
Families : BotH
References (1)
| Title : The bottromycin epimerase BotH defines a group of atypical alpha\/beta-hydrolase-fold enzymes - Sikandar_2020_Nat.Chem.Biol_16_1013 |
| Author(s) : Sikandar A , Franz L , Adam S , Santos-Aberturas J , Horbal L , Luzhetskyy A , Truman AW , Kalinina OV , Koehnke J |
| Ref : Nat Chemical Biology , 16 :1013 , 2020 |
| Abstract : Sikandar_2020_Nat.Chem.Biol_16_1013 |
| ESTHER : Sikandar_2020_Nat.Chem.Biol_16_1013 |
| PubMedSearch : Sikandar_2020_Nat.Chem.Biol_16_1013 |
| PubMedID: 32601484 |
| Gene_locus related to this paper: 9actn-k4mhv9 |