N-[1-[(3S,4S,5S)-5-[4-[(Z)-3-[[(3aS,4R,5R,6S,7R,7aR)-4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]amino]-2-methyl-3-oxidanylidene-prop-1-enyl]-2-oxidanyl-phenoxy]-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]cyclopropanecarboxamide

Systemtic Name: N-[1-[(3S,4S,5S)-5-[4-[(Z)-3-[[(3aS,4R,5R,6S,7R,7aR)-4,6,7-tris(oxidanyl)-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]amino]-2-methyl-3-oxidanylidene-prop-1-enyl]-2-oxidanyl-phenoxy]-3,4-bis(oxidanyl)oxolan-2-yl]ethyl]cyclopropanecarboxamide Openeye Name: N-[1-[(3S,4S,5S)-5-[4-[(Z)-3-[[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]amino]-2-methyl-3-oxo-prop-1-enyl]-2-hydroxy-phenoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]ethyl]cyclopropanecarboxamide CAS Name: N-[1-[(3S,4S,5S)-5-[4-[(Z)-3-[[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]amino]-2-methyl-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-3,4-dihydroxy-2-oxolanyl]ethyl]cyclopropanecarboxamide IUPAC Name: N-[1-[(3S,4S,5S)-5-[4-[(Z)-3-[[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]amino]-2-methyl-3-oxoprop-1-enyl]-2-hydroxyphenoxy]-3,4-dihydroxyoxolan-2-yl]ethyl]cyclopropanecarboxamide Traditional Name: N-[1-[(3S,4S,5S)-5-[4-[(Z)-3-[[(3aS,4R,5R,6S,7R,7aR)-4,6,7-trihydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl]amino]-3-keto-2-methyl-prop-1-enyl]-2-hydroxy-phenoxy]-3,4-dihydroxy-tetrahydrofuran-2-yl]ethyl]cyclopropanecarboxamide Formula: C27H36N2O12 MolecularWeight: 580.58094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(C(C(O1)OC2=C(C=C(C=C2)C=C(C)C(=O)NC3C(C(C4C(C3O)OCO4)O)O)O)O)O)NC(=O)C5CC5

Isomeric SMILES

CC(C1[C@H]([C@@H]([C@@H](O1)OC2=C(C=C(C=C2)/C=C(/C)\C(=O)N[C@@H]3[C@@H]([C@H]([C@@H]4[C@H]([C@@H]3O)OCO4)O)O)O)O)O)NC(=O)C5CC5

InChI

InChI=1S/C27H36N2O12/c1-10(25(36)29-16-17(31)19(33)24-23(18(16)32)38-9-39-24)7-12-3-6-15(14(30)8-12)40-27-21(35)20(34)22(41-27)11(2)28-26(37)13-4-5-13/h3,6-8,11,13,16-24,27,30-35H,4-5,9H2,1-2H3,(H,28,37)(H,29,36)/b10-7-/t11?,16-,17+,18-,19-,20+,21+,22?,23+,24-,27-/m1/s1