novobiocin
AlkaPlorer ID: AK015983
Synonym: 'Albamix', 'Cathocin', 'Inamycin', 'N-{7-(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamide', 'Sirbiocina', 'Antibiotic PA-93', 'Cathomycin', 'U 6391', 'Stilbiocina', 'PA 93', 'Robiocina', 'Streptonivicin', 'Crystallinic acid', 'Spheromycin', 'Albamycin', 'Novo-R', 'Cardelmycin', 'Novobiocin'
IUPAC Name: [(3S,4R,5S,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
Structure
SMILES: CO[C@H]1[C@H](OC(N)=O)[C@H](O)[C@H](OC2=CC=C3C(O)=C(NC(=O)C4=CC=C(O)C(CC=C(C)C)=C4)C(=O)OC3=C2C)OC1(C)C
InChI: InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29+/m0/s1
InChIKey: YJQPYGGHQPGBLI-PTSPBZQHSA-N
Source
Properties Information
Molecule Weight: 612.6320000000002
TPSA？: 200.01
MolLogP？: 3.6271200000000015
Number of H-Donors: 5
Number of H-Acceptors: 11
RingCount: 4
Activities Information
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