(3Z)-3-[[2-[2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl-methyl-amino]ethoxyamino]methylidene]-N-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-10-methoxy-3-oxidanyl-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]methyl]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxamide

Systemtic Name: (3Z)-3-[[2-[2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl-methyl-amino]ethoxyamino]methylidene]-N-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-10-methoxy-3-oxidanyl-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]methyl]-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxamide Openeye Name: (3Z)-N-[[[(2S,3S,4S,6R)-3-hydroxy-6-[[(1S,3S)-3-hydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-tetrahydropyran-4-yl]amino]methyl]-3-[[2-[2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl-methyl-amino]ethoxyamino]methylene]-6-oxo-cyclohexa-1,4-diene-1-carboxamide CAS Name: (3Z)-N-[[[(2S,3S,4S,6R)-3-hydroxy-6-[[(1S,3S)-3-hydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-4-oxanyl]amino]methyl]-3-[[2-[2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]ethoxyamino]methylidene]-6-oxo-1-cyclohexa-1,4-dienecarboxamide IUPAC Name: (3Z)-N-[[[(2S,3S,4S,6R)-3-hydroxy-6-[[(1S,3S)-3-hydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyloxan-4-yl]amino]methyl]-3-[[2-[2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl-methylamino]ethoxyamino]methylidene]-6-oxocyclohexa-1,4-diene-1-carboxamide Traditional Name: (3Z)-N-[[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-glycoloyl-3-hydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]methyl]-3-[[2-[2-[4-[(E)-1-(4-hydroxyphenyl)-2-phenyl-but-1-enyl]phenoxy]ethyl-methyl-amino]ethoxyamino]methylene]-6-keto-cyclohexa-1,4-diene-1-carboxamide Formula: C63H66N4O14 MolecularWeight: 1103.21654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCCN(C)CCONC=C3C=CC(=O)C(=C3)C(=O)NCNC4CC(OC(C4O)C)OC5CC(CC6=C5C=C7C(=C6)C(=O)C8=C(C7=O)C(=CC=C8)OC)(C(=O)CO)O)C9=CC=CC=C9

Isomeric SMILES

CC/C(=C(/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)OCCN(C)CCON/C=C\3/C=CC(=O)C(=C3)C(=O)NCN[C@H]4C[C@@H](O[C@H]([C@H]4O)C)O[C@H]5C[C@@](CC6=C5C=C7C(=C6)C(=O)C8=C(C7=O)C(=CC=C8)OC)(C(=O)CO)O)/C9=CC=CC=C9

InChI

InChI=1S/C63H66N4O14/c1-5-45(39-10-7-6-8-11-39)57(40-15-19-43(69)20-16-40)41-17-21-44(22-18-41)78-26-24-67(3)25-27-79-66-34-38-14-23-52(70)50(28-38)62(75)65-36-64-51-31-56(80-37(2)59(51)72)81-54-33-63(76,55(71)35-68)32-42-29-48-49(30-47(42)54)61(74)58-46(60(48)73)12-9-13-53(58)77-4/h6-23,28-30,34,37,51,54,56,59,64,66,68-69,72,76H,5,24-27,31-33,35-36H2,1-4H3,(H,65,75)/b38-34-,57-45+/t37-,51-,54-,56-,59+,63-/m0/s1