Azinomycin A

AlkaPlorer ID: AK032374

Synonym: None

IUPAC Name: [2-[[(1E)-1-[(3R,4R,5S)-3-acetyloxy-4-hydroxy-1-azabicyclo[3.1.0]hexan-2-ylidene]-2-oxo-2-(2-oxopropylamino)ethyl]amino]-1-(2-methyloxiran-2-yl)-2-oxoethyl] 3-methoxy-5-methylnaphthalene-1-carboxylate

Structure

SMILES: COC1=CC2=C(C)C=CC=C2C(C(=O)OC(C(O)=N/C(C(O)=NCC(C)=O)=C2\[C@@H](OC(C)=O)[C@H](O)[C@@H]3CN23)C2(C)CO2)=C1

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InChI: InChI=1S/C30H33N3O10/c1-14-7-6-8-18-19(14)9-17(40-5)10-20(18)29(39)43-26(30(4)13-41-30)28(38)32-22(27(37)31-11-15(2)34)23-25(42-16(3)35)24(36)21-12-33(21)23/h6-10,21,24-26,36H,11-13H2,1-5H3,(H,31,37)(H,32,38)/b23-22+/t21-,24+,25+,26?,30?,33?/m0/s1

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InChIKey: PBRHVAKBKPQZAF-IZJAFUGUSA-N

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Properties Information

Molecule Weight: 595.6050000000002

TPSA: 179.85

MolLogP: 2.17512

Number of H-Donors: 3

Number of H-Acceptors: 11

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information