prop-2-enyl N-[(7S,9Z,10aS)-9-[azanyl(oxidanyl)methylidene]-5,7-bis(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]carbamate

Systemtic Name: prop-2-enyl N-[(7S,9Z,10aS)-9-[azanyl(oxidanyl)methylidene]-5,7-bis(dimethylamino)-1,10a,12-tris(oxidanyl)-8,10,11-tris(oxidanylidene)-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]carbamate Openeye Name: allyl N-[(7S,9Z,10aS)-9-[amino(hydroxy)methylene]-5,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]carbamate CAS Name: N-[(7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-5,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]carbamic acid prop-2-enyl ester IUPAC Name: prop-2-enyl N-[(7S,9Z,10aS)-9-[amino(hydroxy)methylidene]-5,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-trioxo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]carbamate Traditional Name: N-[(7S,9Z,10aS)-9-[amino(hydroxy)methylene]-5,7-bis(dimethylamino)-1,10a,12-trihydroxy-8,10,11-triketo-5a,6,6a,7-tetrahydro-5H-tetracen-2-yl]carbamic acid allyl ester Formula: C27H32N4O9 MolecularWeight: 556.56438

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1C2CC3C(C(=O)C(=C(N)O)C(=O)C3(C(=O)C2=C(C4=C1C=CC(=C4O)NC(=O)OCC=C)O)O)N(C)C

Isomeric SMILES

CN(C)[C@H]1C2CC3C(C4=C(C(=C(C=C4)NC(=O)OCC=C)O)C(=C3C(=O)[C@@]2(C(=O)/C(=C(/N)\O)/C1=O)O)O)N(C)C

InChI

InChI=1S/C27H32N4O9/c1-6-9-40-26(38)29-14-8-7-11-15(20(14)32)21(33)16-12(18(11)30(2)3)10-13-19(31(4)5)22(34)17(25(28)37)24(36)27(13,39)23(16)35/h6-8,12-13,18-19,32-33,37,39H,1,9-10,28H2,2-5H3,(H,29,38)/b25-17-/t12?,13?,18?,19-,27-/m0/s1