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

Systemtic Name: 2-[[(2S)-2-[[(2S)-3-[(2R,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-azanyl-propanoyl]amino]-3-oxidanyl-propanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[[(2S)-3-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-2-amino-propanoyl]amino]-3-hydroxy-propanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[(2S)-3-[[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-amino-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[[(2S)-3-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[[(2S)-3-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-2-amino-propanoyl]amino]-3-hydroxy-propanoyl]amino]acetic acid Formula: C16H28N4O11 MolecularWeight: 452.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(C(C(OC1OCC(C(=O)NC(CO)C(=O)NCC(=O)O)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)N[C@@H](CO)C(=O)NCC(=O)O)N)CO)O)O

InChI

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