Molecules/(2S)-4-amino-N-[(2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]-2-hydroxybutanamide

(2S)-4-amino-N-[(2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]-2-hydroxybutanamide

C22H44N6O10552.60 g/molCID 45358840

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Molecular Identity

(2S)-4-amino-N-[(2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]-2-hydroxybutanamide

PubChem CID: 45358840

2D Structure

Properties

C₂₂H₄₄N₆O₁₀

Molecular Formula

552.60

Molecular Weight

g/mol

552.3119

Exact Mass

-6.8

XLogP

Drug-like (Lipinski: < 5)

297

TPSA

May have limited oral absorption

H-Bond Donors

H-Bond Acceptors

757

Complexity

SMILES

Canonical SMILES

SMILES: C1CC(C(OC1CN)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CO)O)NC(=O)C(CCN)O)O)N)N)N

Isomeric SMILES

SMILES: C1C[C@H]([C@H](O[C@@H]1CN)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)NC(=O)[C@H](CCN)O)O)N)N)N

Synonyms(2)

AC-082AKOS025401323

Data from PubChem (NCBI)

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Molecular Structure

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Source: PubChem

Drug Network

Trials and conditions connected to (2S)-4-amino-N-[(2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]-2-hydroxybutanamide

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