[[2-[[(7S,9Z,10aS)-9-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]amino]-2-oxidanylidene-ethyl]-butyl-carbamoyl]oxymethyl 4-fluoranylbenzoate

Systemtic Name: [[2-[[(7S,9Z,10aS)-9-[azanyl(oxidanyl)methylidene]-4,7-bis(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]amino]-2-oxidanylidene-ethyl]-butyl-carbamoyl]oxymethyl 4-fluoranylbenzoate Openeye Name: [[2-[[(7S,9Z,10aS)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]amino]-2-oxo-ethyl]-butyl-carbamoyl]oxymethyl 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [[[2-[[(7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]amino]-2-oxoethyl]-butylamino]-oxomethoxy]methyl ester IUPAC Name: [[2-[[(7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]amino]-2-oxoethyl]-butylcarbamoyl]oxymethyl 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [[2-[[(7S,9Z,10aS)-9-[amino(hydroxy)methylene]-4,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-triketo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]amino]-2-keto-ethyl]-butyl-carbamoyl]oxymethyl ester Formula: C38H44FN5O12 MolecularWeight: 781.780663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)NC1=C(C2=C(CC3CC4C(C(=O)C(=C(N)O)C(=O)C4(C(=O)C3=C2O)O)N(C)C)C(=C1)N(C)C)O)C(=O)OCOC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCCCN(CC(=O)NC1=C(C2=C(CC3CC4[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]4(C(=O)C3=C2O)O)N(C)C)C(=C1)N(C)C)O)C(=O)OCOC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C38H44FN5O12/c1-6-7-12-44(37(53)56-17-55-36(52)18-8-10-20(39)11-9-18)16-25(45)41-23-15-24(42(2)3)21-13-19-14-22-29(43(4)5)32(48)28(35(40)51)34(50)38(22,54)33(49)26(19)31(47)27(21)30(23)46/h8-11,15,19,22,29,46-47,51,54H,6-7,12-14,16-17,40H2,1-5H3,(H,41,45)/b35-28-/t19?,22?,29-,38-/m0/s1