(2S,3S,4S,5S)-5-[4-[(E)-3-[[4,6-bis(oxidanyl)-1,3-benzodioxol-5-yl]amino]-2-methyl-3-oxidanylidene-prop-1-enyl]-2-oxidanyl-phenoxy]-3,4-bis(oxidanyl)-N-phenylmethoxy-oxolane-2-carboxamide

Systemtic Name: (2S,3S,4S,5S)-5-[4-[(E)-3-[[4,6-bis(oxidanyl)-1,3-benzodioxol-5-yl]amino]-2-methyl-3-oxidanylidene-prop-1-enyl]-2-oxidanyl-phenoxy]-3,4-bis(oxidanyl)-N-phenylmethoxy-oxolane-2-carboxamide Openeye Name: (2S,3S,4S,5S)-N-benzyloxy-5-[4-[(E)-3-[(4,6-dihydroxy-1,3-benzodioxol-5-yl)amino]-2-methyl-3-oxo-prop-1-enyl]-2-hydroxy-phenoxy]-3,4-dihydroxy-tetrahydrofuran-2-carboxamide CAS Name: (2S,3S,4S,5S)-5-[4-[(E)-3-[(4,6-dihydroxy-1,3-benzodioxol-5-yl)amino]-2-methyl-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-3,4-dihydroxy-N-phenylmethoxy-2-oxolanecarboxamide IUPAC Name: (2S,3S,4S,5S)-5-[4-[(E)-3-[(4,6-dihydroxy-1,3-benzodioxol-5-yl)amino]-2-methyl-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-3,4-dihydroxy-N-phenylmethoxyoxolane-2-carboxamide Traditional Name: (2S,3S,4S,5S)-N-benzoxy-5-[4-[(E)-3-[(4,6-dihydroxy-1,3-benzodioxol-5-yl)amino]-3-keto-2-methyl-prop-1-enyl]-2-hydroxy-phenoxy]-3,4-dihydroxy-tetrahydrofuran-2-carboxamide Formula: C29H28N2O12 MolecularWeight: 596.53882

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC(=C(C=C1)OC2C(C(C(O2)C(=O)NOCC3=CC=CC=C3)O)O)O)C(=O)NC4=C(C=C5C(=C4O)OCO5)O

Isomeric SMILES

C/C(=C\C1=CC(=C(C=C1)O[C@H]2[C@H]([C@@H]([C@H](O2)C(=O)NOCC3=CC=CC=C3)O)O)O)/C(=O)NC4=C(C=C5C(=C4O)OCO5)O

InChI

InChI=1S/C29H28N2O12/c1-14(27(37)30-21-18(33)11-20-25(22(21)34)40-13-39-20)9-16-7-8-19(17(32)10-16)42-29-24(36)23(35)26(43-29)28(38)31-41-12-15-5-3-2-4-6-15/h2-11,23-24,26,29,32-36H,12-13H2,1H3,(H,30,37)(H,31,38)/b14-9+/t23-,24-,26-,29+/m0/s1