Istamycin B1

AlkaPlorer ID: AK046607

Synonym: 'Istamycin A1'

IUPAC Name: N-[(1S,2R,3R,4R,6S)-4-amino-3-[(2R,3R,6S)-3-amino-6-(methylaminomethyl)oxan-2-yl]oxy-2-hydroxy-6-methoxycyclohexyl]-2-formamido-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)CN=CO)[C@@H](OC)C[C@H]2N)O1

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InChI: InChI=1S/C18H35N5O6/c1-21-7-10-4-5-11(19)18(28-10)29-17-12(20)6-13(27-3)15(16(17)26)23(2)14(25)8-22-9-24/h9-13,15-18,21,26H,4-8,19-20H2,1-3H3,(H,22,24)/t10-,11+,12+,13-,15+,16+,17+,18+/m0/s1

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InChIKey: IHPJPQIRNONWGH-WLWVOYFZSA-N

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Properties Information

Molecule Weight: 417.5070000000002

TPSA: 164.89

MolLogP: -2.056399999999991

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