4-[[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]methyl]-N-[(2S,3S,4S,6R)-6-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-[[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-2,5-bis(oxidanylidene)pyrrolidin-1-yl]methyl]-N-[(2S,3S,4S,6R)-6-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]cyclohexane-1-carboxamide Openeye Name: 4-[[3-(2-amino-2-oxo-ethyl)sulfanyl-2,5-dioxo-pyrrolidin-1-yl]methyl]-N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]tetrahydropyran-4-yl]cyclohexanecarboxamide CAS Name: 4-[[3-[(2-amino-2-oxoethyl)thio]-2,5-dioxo-1-pyrrolidinyl]methyl]-N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-oxanyl]-1-cyclohexanecarboxamide IUPAC Name: 4-[[3-(2-amino-2-oxoethyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]methyl]-N-[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]cyclohexane-1-carboxamide Traditional Name: 4-[[3-[(2-amino-2-keto-ethyl)thio]-2,5-diketo-pyrrolidino]methyl]-N-[(2S,3S,4S,6R)-6-[[(1S,3S)-3-glycoloyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]cyclohexanecarboxamide Formula: C41H47N3O15S MolecularWeight: 853.88798

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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)CO)O)NC(=O)C6CCC(CC6)CN7C(=O)CC(C7=O)SCC(=O)N)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)CO)O)NC(=O)C6CCC(CC6)CN7C(=O)CC(C7=O)SCC(=O)N)O

InChI

InChI=1S/C41H47N3O15S/c1-17-34(49)22(43-39(54)19-8-6-18(7-9-19)14-44-28(48)11-25(40(44)55)60-16-27(42)47)10-29(58-17)59-24-13-41(56,26(46)15-45)12-21-31(24)38(53)33-32(36(21)51)35(50)20-4-3-5-23(57-2)30(20)37(33)52/h3-5,17-19,22,24-25,29,34,45,49,51,53,56H,6-16H2,1-2H3,(H2,42,47)(H,43,54)/t17-,18?,19?,22-,24-,25?,29-,34+,41-/m0/s1