[[2-[[(5aR,6aS,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]-tert-butyl-carbamoyl]oxymethyl 2-phenylethanoate

Systemtic Name: [[2-[[(5aR,6aS,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]-tert-butyl-carbamoyl]oxymethyl 2-phenylethanoate Openeye Name: [[2-[[(5aR,6aS,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]-tert-butyl-carbamoyl]oxymethyl 2-phenylacetate CAS Name: 2-phenylacetic acid [[[2-[[(5aR,6aS,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]-tert-butylamino]-oxomethoxy]methyl ester IUPAC Name: [[2-[[(5aR,6aS,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]-tert-butylcarbamoyl]oxymethyl 2-phenylacetate Traditional Name: 2-phenylacetic acid [[2-[[(5aR,6aS,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]-tert-butyl-carbamoyl]oxymethyl ester Formula: C39H47N5O12 MolecularWeight: 777.81678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(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)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)N(CC(=O)NC1=C(C2=C(C[C@H]3C[C@H]4[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)CC5=CC=CC=C5

InChI

InChI=1S/C39H47N5O12/c1-38(2,3)44(37(53)56-18-55-26(46)13-19-11-9-8-10-12-19)17-25(45)41-23-16-24(42(4)5)21-14-20-15-22-30(43(6)7)33(49)29(36(40)52)35(51)39(22,54)34(50)27(20)32(48)28(21)31(23)47/h8-12,16,20,22,30,47-48,52,54H,13-15,17-18,40H2,1-7H3,(H,41,45)/b36-29-/t20-,22-,30-,39-/m0/s1