(Q82696610)

English

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

group of stereoisomers with the chemical formula C₂₆H₅₀N₆O₁₅

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Statements

instance of

group of stereoisomers

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subclass of

chemical compound

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mass

686.3334149000001 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₂₆H₅₀N₆O₁₅

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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)C2O)C(O)C1OC1OC(CO)C(O)C(N=C(O)C(O)CCN)C1O

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

NCC[C@H](O)C(=O)N[C@@H]1C(O)[C@@H](O[C@@H]2C(O)C(O[C@H]3OC(CN)[C@@H](O)C(O)C3O)[C@@H](N)C[C@H]2NC(=O)[C@@H](O)CCN)OC(CO)[C@H]1O

1 reference

based on heuristic

inferred from InChI

Identifiers

InChI

InChI=1S/C26H50N6O15/c27-3-1-10(34)23(42)31-9-5-8(30)21(46-26-19(40)18(39)16(37)12(6-29)44-26)20(41)22(9)47-25-17(38)14(15(36)13(7-33)45-25)32-24(43)11(35)2-4-28/h8-22,25-26,33-41H,1-7,27-30H2,(H,31,42)(H,32,43)/t8-,9+,10-,11-,12?,13?,14-,15+,16+,17?,18?,19?,20?,21?,22-,25+,26+/m0/s1

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InChIKey

YJEDOCBINAXBLM-ZFLVPIEGSA-N

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1 reference

26 December 2021

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DSSTOX compound identifier

DTXCID50698375

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(Q82696610)

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

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Identifiers

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