28-N-Methylikarugamycin

AlkaPlorer ID: AK485172

Synonym: None

IUPAC Name: 11-ethyl-2-hydroxy-10,26-dimethyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1,3,13,18-tetraene-20,27,28-trione

Structure

SMILES: CCC1C(C)CC2C1C=CC1C3CC=CC(O)=NCCCC4C(=O)C(=C(O)C=CC3CC12)C(=O)N4C

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InChI: InChI=1S/C30H40N2O4/c1-4-19-17(2)15-23-21(19)11-12-22-20-7-5-9-27(34)31-14-6-8-25-29(35)28(30(36)32(25)3)26(33)13-10-18(20)16-24(22)23/h5,9-13,17-25,33H,4,6-8,14-16H2,1-3H3,(H,31,34)

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InChIKey: OZOYWVDYIKBBMO-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 492.6600000000004

TPSA: 90.2

MolLogP: 5.197700000000005

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information