Diffusomycin

AlkaPlorer ID: AK021405

Synonym: 'Oxalomycin B', 'Oxazolomycin A', 'oxazolomycin A', 'Diffusomycin'

IUPAC Name: (4Z,6Z,8E)-3-hydroxy-N-[(2E,4E,7R,9S)-6-hydroxy-9-[(7R,8S)-8-hydroxy-5,7-dimethyl-3,6-dioxo-2-oxa-5-azaspiro[3.4]octan-8-yl]-9-methoxy-7-methylnona-2,4-dienyl]-2,2,4-trimethyl-10-(1,3-oxazol-5-yl)deca-4,6,8-trienamide

Structure

SMILES: CO[C@@H](C[C@@H](C)C(O)/C=C/C=C/CN=C(O)C(C)(C)C(O)/C(C)=C\C=C/C=C/CC1=CN=CO1)[C@]1(O)[C@@H](C)C(=O)N(C)C12COC2=O

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InChI: InChI=1S/C35H49N3O9/c1-23(15-11-8-9-12-16-26-20-36-22-47-26)29(40)33(4,5)31(42)37-18-14-10-13-17-27(39)24(2)19-28(45-7)35(44)25(3)30(41)38(6)34(35)21-46-32(34)43/h8-15,17,20,22,24-25,27-29,39-40,44H,16,18-19,21H2,1-7H3,(H,37,42)/b11-8-,12-9+,14-10+,17-13+,23-15-/t24-,25+,27?,28+,29?,34?,35-/m1/s1

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InChIKey: ZZNSFVQRQDZGGX-KXXCBVSKSA-N

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Source

Properties Information

Molecule Weight: 655.7890000000001

TPSA: 175.14999999999998

MolLogP: 3.2687000000000017

Number of H-Donors: 4

Number of H-Acceptors: 10

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information