(2S,6R)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3S,4R,5R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-6-azanyl-heptanedioic acid

Systemtic Name: (2S,6R)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3S,4R,5R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-6-azanyl-heptanedioic acid Openeye Name: (2S,6R)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-hydroxy-5-oxo-pentanoyl]amino]-6-amino-heptanedioic acid CAS Name: (2S,6R)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxopropyl]amino]-1-oxopropyl]amino]-5-hydroxy-1,5-dioxopentyl]amino]-6-aminoheptanedioic acid IUPAC Name: (2S,6R)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-hydroxy-5-oxopentanoyl]amino]-6-aminoheptanedioic acid Traditional Name: (2S,6R)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]oxypropanoyl]amino]propanoyl]amino]-5-hydroxy-5-keto-pentanoyl]amino]-6-amino-pimelic acid Formula: C26H43N5O15 MolecularWeight: 665.64412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)NC(CCCC(C(=O)O)N)C(=O)O)C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)O)N)C(=O)O)C(=O)O)NC(=O)[C@@H](C)O[C@H]1[C@@H]([C@H](OC([C@@H]1NC(=O)C)O)CO)O

InChI

InChI=1S/C26H43N5O15/c1-10(28-22(37)11(2)45-20-18(29-12(3)33)26(44)46-16(9-32)19(20)35)21(36)31-15(25(42)43)7-8-17(34)30-14(24(40)41)6-4-5-13(27)23(38)39/h10-11,13-16,18-20,26,32,35,44H,4-9,27H2,1-3H3,(H,28,37)(H,29,33)(H,30,34)(H,31,36)(H,38,39)(H,40,41)(H,42,43)/t10-,11+,13+,14-,15+,16+,18+,19+,20+,26?/m0/s1