2-[azanyl-[(Z)-[6-methyl-5,10,11,12a-tetrakis(oxidanyl)-1,3,12-tris(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-tetracen-2-ylidene]-oxidanyl-methyl]amino]-N-(oxolan-2-ylmethyl)ethanamide

Systemtic Name: 2-[azanyl-[(Z)-[6-methyl-5,10,11,12a-tetrakis(oxidanyl)-1,3,12-tris(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-tetracen-2-ylidene]-oxidanyl-methyl]amino]-N-(oxolan-2-ylmethyl)ethanamide Openeye Name: 2-[amino-[(Z)-(5,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4a,5,5a,6-tetrahydro-4H-tetracen-2-ylidene)-hydroxy-methyl]amino]-N-(tetrahydrofuran-2-ylmethyl)acetamide CAS Name: 2-[amino-[(Z)-(5,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4a,5,5a,6-tetrahydro-4H-tetracen-2-ylidene)-hydroxymethyl]amino]-N-(2-oxolanylmethyl)acetamide IUPAC Name: 2-[amino-[(Z)-(5,10,11,12a-tetrahydroxy-6-methyl-1,3,12-trioxo-4a,5,5a,6-tetrahydro-4H-tetracen-2-ylidene)-hydroxymethyl]amino]-N-(oxolan-2-ylmethyl)acetamide Traditional Name: 2-[amino-[(Z)-(5,10,11,12a-tetrahydroxy-1,3,12-triketo-6-methyl-4a,5,5a,6-tetrahydro-4H-tetracen-2-ylidene)-hydroxy-methyl]amino]-N-(tetrahydrofurfuryl)acetamide Formula: C27H31N3O10 MolecularWeight: 557.54914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C3CC(=O)C(=C(N(CC(=O)NCC4CCCO4)N)O)C(=O)C3(C(=O)C2=C(C5=C1C=CC=C5O)O)O)O

Isomeric SMILES

CC1C2C(C3CC(=O)/C(=C(\N(CC(=O)NCC4CCCO4)N)/O)/C(=O)C3(C(=O)C2=C(C5=C1C=CC=C5O)O)O)O

InChI

InChI=1S/C27H31N3O10/c1-11-13-5-2-6-15(31)19(13)23(35)21-18(11)22(34)14-8-16(32)20(24(36)27(14,39)25(21)37)26(38)30(28)10-17(33)29-9-12-4-3-7-40-12/h2,5-6,11-12,14,18,22,31,34-35,38-39H,3-4,7-10,28H2,1H3,(H,29,33)/b26-20-