(2S)-3-cyclohexyl-2-[(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R)-3-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(phenylcarbamoylamino)methyl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid

Systemtic Name: (2S)-3-cyclohexyl-2-[(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3S,4R)-3-[(2S,3S,4R,5S,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-[(phenylcarbamoylamino)methyl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-propanoic acid Openeye Name: (2S)-3-cyclohexyl-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R)-2-[(phenylcarbamoylamino)methyl]-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxy-tetrahydropyran-4-yl]oxy-propanoic acid CAS Name: (2S)-2-[[(2R,3R,4S,5S,6R)-2-[[(2R,3S,4R)-2-[[[anilino(oxo)methyl]amino]methyl]-3-[[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-4-oxanyl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)-4-oxanyl]oxy]-3-cyclohexylpropanoic acid IUPAC Name: (2S)-3-cyclohexyl-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R)-2-[(phenylcarbamoylamino)methyl]-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-4-yl]oxyoxan-4-yl]oxypropanoic acid Traditional Name: (2S)-3-cyclohexyl-2-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-methylol-6-[(2R,3S,4R)-2-[(phenylcarbamoylamino)methyl]-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-4-yl]oxy-tetrahydropyran-4-yl]oxy-propionic acid Formula: C34H52N2O15 MolecularWeight: 728.78108

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(CCOC2CNC(=O)NC3=CC=CC=C3)OC4C(C(C(C(O4)CO)O)OC(CC5CCCCC5)C(=O)O)O)O)O)O

Isomeric SMILES

C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2[C@@H](CCO[C@@H]2CNC(=O)NC3=CC=CC=C3)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O[C@@H](CC5CCCCC5)C(=O)O)O)O)O)O

InChI

InChI=1S/C34H52N2O15/c1-17-24(38)26(40)27(41)32(47-17)51-29-20(12-13-46-22(29)15-35-34(45)36-19-10-6-3-7-11-19)49-33-28(42)30(25(39)23(16-37)50-33)48-21(31(43)44)14-18-8-4-2-5-9-18/h3,6-7,10-11,17-18,20-30,32-33,37-42H,2,4-5,8-9,12-16H2,1H3,(H,43,44)(H2,35,36,45)/t17-,20+,21-,22+,23+,24+,25-,26+,27-,28+,29-,30-,32-,33+/m0/s1