(2R,4S,5R,6R)-6-[(1R,2R)-3-(cyclohexylmethylamino)-1,2-bis(oxidanyl)propyl]-2-[[(2R,3R,4S,5R,6S)-6-(4-methoxyphenoxy)-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-4-oxidanyl-5-(2-oxidanylethanoylamino)oxane-2-carboxylic acid

Systemtic Name: (2R,4S,5R,6R)-6-[(1R,2R)-3-(cyclohexylmethylamino)-1,2-bis(oxidanyl)propyl]-2-[[(2R,3R,4S,5R,6S)-6-(4-methoxyphenoxy)-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]-4-oxidanyl-5-(2-oxidanylethanoylamino)oxane-2-carboxylic acid Openeye Name: (2R,4S,5R,6R)-6-[(1R,2R)-3-(cyclohexylmethylamino)-1,2-dihydroxy-propyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxyphenoxy)tetrahydropyran-2-yl]methoxy]tetrahydropyran-2-carboxylic acid CAS Name: (2R,4S,5R,6R)-6-[(1R,2R)-3-(cyclohexylmethylamino)-1,2-dihydroxypropyl]-4-hydroxy-5-[(2-hydroxy-1-oxoethyl)amino]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxyphenoxy)-2-oxanyl]methoxy]-2-oxanecarboxylic acid IUPAC Name: (2R,4S,5R,6R)-6-[(1R,2R)-3-(cyclohexylmethylamino)-1,2-dihydroxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxyphenoxy)oxan-2-yl]methoxy]oxane-2-carboxylic acid Traditional Name: (2R,4S,5R,6R)-6-[(1R,2R)-3-(cyclohexylmethylamino)-1,2-dihydroxy-propyl]-5-(glycoloylamino)-4-hydroxy-2-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methoxyphenoxy)tetrahydropyran-2-yl]methoxy]tetrahydropyran-2-carboxylic acid Formula: C31H48N2O15 MolecularWeight: 688.71722

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OC2C(C(C(C(O2)COC3(CC(C(C(O3)C(C(CNCC4CCCCC4)O)O)NC(=O)CO)O)C(=O)O)O)O)O

Isomeric SMILES

COC1=CC=C(C=C1)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO[C@@]3(C[C@@H]([C@H]([C@@H](O3)[C@@H]([C@@H](CNCC4CCCCC4)O)O)NC(=O)CO)O)C(=O)O)O)O)O

InChI

InChI=1S/C31H48N2O15/c1-44-17-7-9-18(10-8-17)46-29-27(41)26(40)25(39)21(47-29)15-45-31(30(42)43)11-19(35)23(33-22(37)14-34)28(48-31)24(38)20(36)13-32-12-16-5-3-2-4-6-16/h7-10,16,19-21,23-29,32,34-36,38-41H,2-6,11-15H2,1H3,(H,33,37)(H,42,43)/t19-,20+,21+,23+,24+,25-,26-,27+,28+,29+,31+/m0/s1