RP 18631

AlkaPlorer ID: AK012944

Synonym: 'Clorobiocin', 'RP 18631', 'Antibiotic 2562A', 'MLS000756558', '18 631 R.P.', 'CHLOROBIOCIN', 'MLSMR', 'SMR000528800', 'NSC 227186', 'clorobiocin', '18631RP', 'Chlorobiocin'

IUPAC Name: [(3S,4R,5R,6S)-6-[8-chloro-4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-2-oxochromen-7-yl]oxy-5-hydroxy-3-methoxy-2,2-dimethyloxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate

Structure

SMILES: CO[C@H]1[C@H](OC(=O)C2=CC=C(C)N2)[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=C2Cl)OC1(C)C

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InChI: InChI=1S/C35H37ClN2O11/c1-16(2)7-9-18-15-19(10-13-22(18)39)31(42)38-25-26(40)20-11-14-23(24(36)28(20)47-33(25)44)46-34-27(41)29(30(45-6)35(4,5)49-34)48-32(43)21-12-8-17(3)37-21/h7-8,10-15,27,29-30,34,37,39-41H,9H2,1-6H3,(H,38,42)/t27-,29-,30+,34-/m1/s1

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InChIKey: FJAQNRBDVKIIKK-LOHKCFAQSA-N

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Properties Information

Molecule Weight: 697.1370000000002

TPSA: 189.78

MolLogP: 5.370320000000004

Number of H-Donors: 5

Number of H-Acceptors: 11

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information