Istamycin A, 2''-N-formimidoyl

AlkaPlorer ID: AK038157

Synonym: '2"-Formimidoylistamycin A'

IUPAC Name: N-[4-amino-6-[3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-3-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide

Structure

SMILES: CNCC1CCC(N)C(OC2CC(N)C(OC)C(O)C2N(C)C(=O)CNC=N)O1

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InChI: InChI=1S/C18H36N6O5/c1-22-7-10-4-5-11(20)18(28-10)29-13-6-12(21)17(27-3)16(26)15(13)24(2)14(25)8-23-9-19/h9-13,15-18,22,26H,4-8,20-21H2,1-3H3,(H2,19,23)

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InChIKey: YHLFRQHBLKQPRR-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 416.52300000000014

TPSA: 168.17999999999998

MolLogP: -2.4460299999999915

Number of H-Donors: 6

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information