Azinomycin A

AlkaPlorer ID: AK290008

Synonym: SS 42227A, Antibiotic SS 42227A

IUPAC Name: [2-[[(1Z)-1-(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=CC(C(=O)OC(C(=O)N/C(C(=O)NCC(C)=O)=C2/C(OC(C)=O)C(O)C3CN23)C2(C)CO2)=C2C=CC=C(C)C2=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-

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InChIKey: PBRHVAKBKPQZAF-FCQUAONHSA-N

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Reference

PubChem CID: 21151138

CAS: 106486-77-5

Properties Information

Molecule Weight: 595.6050000000002

TPSA: 172.86999999999998

MolLogP: 0.4945200000000029

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