(Q82695771)

English

(2S)-4-Amino-N-{(1R,4R,5R)-5-amino-2-[(3-amino-3-deoxy-alpha-D-threo-hexopyranosyl)oxy]-4-[(2,6-diamino-2,6-dideoxy-alpha-D-threo-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide

group of stereoisomers with the chemical formula C₂₂H₄₄N₆O₁₂

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

584.3017208479998 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₂H₄₄N₆O₁₂

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based on heuristic

inferred from SMILES

canonical SMILES

NCCC(O)C(O)=NC1CC(N)C(OC2OC(CN)C(O)C(O)C2N)C(O)C1OC1OC(CO)C(O)C(N)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

NCC[C@H](O)C(=O)N[C@@H]1C[C@@H](N)[C@@H](O[C@H]2OC(CN)[C@@H](O)[C@H](O)C2N)C(O)C1O[C@H]1OC(CO)[C@@H](O)[C@H](N)C1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C22H44N6O12/c23-2-1-8(30)20(36)28-7-3-6(25)18(39-21-12(27)15(33)14(32)9(4-24)37-21)17(35)19(7)40-22-16(34)11(26)13(31)10(5-29)38-22/h6-19,21-22,29-35H,1-5,23-27H2,(H,28,36)/t6-,7-,8+,9?,10?,11+,12?,13-,14-,15-,16?,17?,18-,19?,21-,22-/m1/s1

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InChIKey

YISFONZWEZUXDI-OUGKPOERSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID30697725

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(Q82695771)

(2S)-4-Amino-N-{(1R,4R,5R)-5-amino-2-[(3-amino-3-deoxy-alpha-D-threo-hexopyranosyl)oxy]-4-[(2,6-diamino-2,6-dideoxy-alpha-D-threo-hexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide

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