(2Z,4S,4aS,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-7-[2-(2-methylprop-2-enylamino)ethanoyl]-10,11,12a-tris(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione

Systemtic Name: (2Z,4S,4aS,5aR,12aS)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-7-[2-(2-methylprop-2-enylamino)ethanoyl]-10,11,12a-tris(oxidanyl)-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Openeye Name: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[2-(2-methylallylamino)acetyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione CAS Name: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[2-(2-methylprop-2-enylamino)-1-oxoethyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione IUPAC Name: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[2-(2-methylprop-2-enylamino)acetyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Traditional Name: (2Z,4S,4aS,5aR,12aS)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-10,11,12a-trihydroxy-7-[2-(2-methylallylamino)acetyl]-4a,5,5a,6-tetrahydro-4H-tetracene-1,3,12-trione Formula: C27H31N3O8 MolecularWeight: 525.55034

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNCC(=O)C1=C2CC3CC4C(C(=O)C(=C(N)O)C(=O)C4(C(=O)C3=C(C2=C(C=C1)O)O)O)N(C)C

Isomeric SMILES

CC(=C)CNCC(=O)C1=C2C[C@H]3C[C@H]4[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]4(C(=O)C3=C(C2=C(C=C1)O)O)O)N(C)C

InChI

InChI=1S/C27H31N3O8/c1-11(2)9-29-10-17(32)13-5-6-16(31)19-14(13)7-12-8-15-21(30(3)4)23(34)20(26(28)37)25(36)27(15,38)24(35)18(12)22(19)33/h5-6,12,15,21,29,31,33,37-38H,1,7-10,28H2,2-4H3/b26-20-/t12-,15-,21-,27-/m0/s1