methyl 5-[[(1S,3Z,4aS,11R,11aR,12S,12aR)-3-[azanyl(oxidanyl)methylidene]-11-methyl-4a,6,7,12-tetrakis(oxidanyl)-2,4,5-tris(oxidanylidene)-8-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-methyl-amino]-4-oxidanylidene-pentanoate

Systemtic Name: methyl 5-[[(1S,3Z,4aS,11R,11aR,12S,12aR)-3-[azanyl(oxidanyl)methylidene]-11-methyl-4a,6,7,12-tetrakis(oxidanyl)-2,4,5-tris(oxidanylidene)-8-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-methyl-amino]-4-oxidanylidene-pentanoate Openeye Name: methyl 5-[[(1S,3Z,4aS,11R,11aR,12S,12aR)-3-[amino(hydroxy)methylene]-4a,6,7,12-tetrahydroxy-11-methyl-2,4,5-trioxo-8-[[4-(trifluoromethyl)-1-piperidyl]methyl]-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-methyl-amino]-4-oxo-pentanoate CAS Name: 5-[[(1S,3Z,4aS,11R,11aR,12S,12aR)-3-[amino(hydroxy)methylidene]-4a,6,7,12-tetrahydroxy-11-methyl-2,4,5-trioxo-8-[[4-(trifluoromethyl)-1-piperidinyl]methyl]-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-methylamino]-4-oxopentanoic acid methyl ester IUPAC Name: methyl 5-[[(1S,3Z,4aS,11R,11aR,12S,12aR)-3-[amino(hydroxy)methylidene]-4a,6,7,12-tetrahydroxy-11-methyl-2,4,5-trioxo-8-[[4-(trifluoromethyl)piperidin-1-yl]methyl]-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-methylamino]-4-oxopentanoate Traditional Name: 5-[[(1S,3Z,4aS,11R,11aR,12S,12aR)-3-[amino(hydroxy)methylene]-4a,6,7,12-tetrahydroxy-2,4,5-triketo-11-methyl-8-[[4-(trifluoromethyl)piperidino]methyl]-11,11a,12,12a-tetrahydro-1H-tetracen-1-yl]-methyl-amino]-4-keto-valeric acid methyl ester Formula: C34H40F3N3O11 MolecularWeight: 723.69011

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC(=C4O)CN5CCC(CC5)C(F)(F)F)O)O)N(C)CC(=O)CCC(=O)OC)O

Isomeric SMILES

C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]3(C(=O)C2=C(C4=C1C=CC(=C4O)CN5CCC(CC5)C(F)(F)F)O)O)N(C)CC(=O)CCC(=O)OC)O

InChI

InChI=1S/C34H40F3N3O11/c1-14-18-6-4-15(12-40-10-8-16(9-11-40)34(35,36)37)26(43)21(18)27(44)22-20(14)28(45)24-25(39(2)13-17(41)5-7-19(42)51-3)29(46)23(32(38)49)31(48)33(24,50)30(22)47/h4,6,14,16,20,24-25,28,43-45,49-50H,5,7-13,38H2,1-3H3/b32-23-/t14-,20+,24+,25-,28-,33-/m0/s1