N-[(2R,3R,4R,5S,6R)-2-[3-(2-azanylethylsulfanyl)propyl-ethanoyl-amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide

Systemtic Name: N-[(2R,3R,4R,5S,6R)-2-[3-(2-azanylethylsulfanyl)propyl-ethanoyl-amino]-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide Openeye Name: N-[(2R,3R,4R,5S,6R)-2-[acetyl-[3-(2-aminoethylsulfanyl)propyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide CAS Name: N-[(2R,3R,4R,5S,6R)-2-[acetyl-[3-(2-aminoethylthio)propyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)-3-oxanyl]acetamide IUPAC Name: N-[(2R,3R,4R,5S,6R)-2-[acetyl-[3-(2-aminoethylsulfanyl)propyl]amino]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide Traditional Name: N-[(2R,3R,4R,5S,6R)-2-[acetyl-[3-(2-aminoethylthio)propyl]amino]-4,5-dihydroxy-6-methylol-tetrahydropyran-3-yl]acetamide Formula: C15H29N3O6S MolecularWeight: 379.47226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1N(CCCSCCN)C(=O)C)CO)O)O

Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1N(CCCSCCN)C(=O)C)CO)O)O

InChI

InChI=1S/C15H29N3O6S/c1-9(20)17-12-14(23)13(22)11(8-19)24-15(12)18(10(2)21)5-3-6-25-7-4-16/h11-15,19,22-23H,3-8,16H2,1-2H3,(H,17,20)/t11-,12-,13-,14-,15-/m1/s1