Istamycin B3

AlkaPlorer ID: AK022637

Synonym: "2''-N-formimidoylistamycin B", 'Istamycin A3'

IUPAC Name: N-[(1S,2R,3R,4S,6S)-4-amino-3-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-2-(aminomethylideneamino)-N-methylacetamide

Structure

SMILES: CNC[C@@H]1CC[C@@H](N)[C@@H](O[C@H]2[C@H](O)[C@H](N(C)C(=O)C/N=C/N)[C@@H](OC)C[C@@H]2N)O1

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InChI: InChI=1S/C18H36N6O5/c1-22-7-10-4-5-11(20)18(28-10)29-17-12(21)6-13(27-3)15(16(17)26)24(2)14(25)8-23-9-19/h9-13,15-18,22,26H,4-8,20-21H2,1-3H3,(H2,19,23)/t10-,11+,12-,13-,15+,16+,17+,18+/m0/s1

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InChIKey: FBYTVIISAJWXNX-GTSDWETFSA-N

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Properties Information

Molecule Weight: 416.52300000000025

TPSA: 170.67999999999998

MolLogP: -2.6556999999999915

Number of H-Donors: 5

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information