(4R)-4-[[(2S)-2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-2-heptoxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (4R)-4-[[(2S)-2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-2-heptoxy-6-(hydroxymethyl)-5-oxidanyl-oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: (4R)-4-[[(2S)-2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-2-heptoxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxo-pentanoic acid CAS Name: (4R)-4-[[(2S)-2-[[2-[[(2R,3R,4R,5S,6R)-3-acetamido-2-heptoxy-5-hydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-1-oxopropyl]amino]-1-oxopropyl]amino]-5-amino-5-oxopentanoic acid IUPAC Name: (4R)-4-[[(2S)-2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-2-heptoxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-oxopentanoic acid Traditional Name: (4R)-4-[[(2S)-2-[2-[(2R,3R,4R,5S,6R)-3-acetamido-2-heptoxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-5-amino-5-keto-valeric acid Formula: C26H46N4O11 MolecularWeight: 590.66364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1C(C(C(C(O1)CO)O)OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)N)NC(=O)C

Isomeric SMILES

CCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)OC(C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(=O)N)NC(=O)C

InChI

InChI=1S/C26H46N4O11/c1-5-6-7-8-9-12-39-26-20(29-16(4)32)22(21(35)18(13-31)41-26)40-15(3)25(38)28-14(2)24(37)30-17(23(27)36)10-11-19(33)34/h14-15,17-18,20-22,26,31,35H,5-13H2,1-4H3,(H2,27,36)(H,28,38)(H,29,32)(H,30,37)(H,33,34)/t14-,15?,17+,18+,20+,21+,22+,26+/m0/s1