7-[4-[4-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]methyl]phenyl]-1,2,3-triazol-1-yl]-N-oxidanyl-heptanamide

Systemtic Name: 7-[4-[4-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-ethanoyl-10-methoxy-3,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]methyl]phenyl]-1,2,3-triazol-1-yl]-N-oxidanyl-heptanamide Openeye Name: 7-[4-[4-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]methyl]phenyl]triazol-1-yl]heptanehydroxamic acid CAS Name: 7-[4-[4-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-4-oxanyl]amino]methyl]phenyl]-1-triazolyl]-N-hydroxyheptanamide IUPAC Name: 7-[4-[4-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]amino]methyl]phenyl]triazol-1-yl]-N-hydroxyheptanamide Traditional Name: 7-[4-[4-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]methyl]phenyl]triazol-1-yl]heptanehydroxamic acid Formula: C43H49N5O12 MolecularWeight: 827.87546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)NCC6=CC=C(C=C6)C7=CN(N=N7)CCCCCCC(=O)NO)O

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)NCC6=CC=C(C=C6)C7=CN(N=N7)CCCCCCC(=O)NO)O

InChI

InChI=1S/C43H49N5O12/c1-22-38(51)28(44-20-24-12-14-25(15-13-24)29-21-48(47-45-29)16-7-5-4-6-11-32(50)46-57)17-33(59-22)60-31-19-43(56,23(2)49)18-27-35(31)42(55)37-36(40(27)53)39(52)26-9-8-10-30(58-3)34(26)41(37)54/h8-10,12-15,21-22,28,31,33,38,44,51,53,55-57H,4-7,11,16-20H2,1-3H3,(H,46,50)/t22-,28-,31-,33-,38+,43-/m0/s1