2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]ethanoyl (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-azanyl-propanoate

Systemtic Name: 2-[[(2S)-2-azanyl-3-oxidanyl-propanoyl]amino]ethanoyl (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-azanyl-propanoate Openeye Name: [2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]acetyl] (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-amino-propanoate CAS Name: (2S)-3-[[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-aminopropanoic acid [2-[[(2S)-2-amino-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl] ester IUPAC Name: [2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]acetyl] (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminopropanoate Traditional Name: (2S)-3-[(2S,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-amino-propionic acid [2-[[(2S)-2-amino-3-hydroxy-propanoyl]amino]acetyl] ester Formula: C16H28N4O11 MolecularWeight: 452.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OCC(C(=O)OC(=O)CNC(=O)C(CO)N)N)CO)O)O

Isomeric SMILES

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

InChI

InChI=1S/C16H28N4O11/c1-6(23)20-11-13(26)12(25)9(4-22)30-16(11)29-5-8(18)15(28)31-10(24)2-19-14(27)7(17)3-21/h7-9,11-13,16,21-22,25-26H,2-5,17-18H2,1H3,(H,19,27)(H,20,23)/t7-,8-,9+,11+,12-,13+,16-/m0/s1