3-methylbutyl N-[(5R,6S,7S)-9-aminocarbonyl-7-(dimethylamino)-5-methyl-1,6,8,12-tetrakis(oxidanyl)-10,11-bis(oxidanylidene)-5,5a,6,6a,7,8,9,10a-octahydrotetracen-2-yl]carbamate

Systemtic Name: 3-methylbutyl N-[(5R,6S,7S)-9-aminocarbonyl-7-(dimethylamino)-5-methyl-1,6,8,12-tetrakis(oxidanyl)-10,11-bis(oxidanylidene)-5,5a,6,6a,7,8,9,10a-octahydrotetracen-2-yl]carbamate Openeye Name: isopentyl N-[(5R,6S,7S)-9-carbamoyl-7-(dimethylamino)-1,6,8,12-tetrahydroxy-5-methyl-10,11-dioxo-5,5a,6,6a,7,8,9,10a-octahydrotetracen-2-yl]carbamate CAS Name: N-[(5R,6S,7S)-9-carbamoyl-7-(dimethylamino)-1,6,8,12-tetrahydroxy-5-methyl-10,11-dioxo-5,5a,6,6a,7,8,9,10a-octahydrotetracen-2-yl]carbamic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl N-[(5R,6S,7S)-9-carbamoyl-7-(dimethylamino)-1,6,8,12-tetrahydroxy-5-methyl-10,11-dioxo-5,5a,6,6a,7,8,9,10a-octahydrotetracen-2-yl]carbamate Traditional Name: N-[(5R,6S,7S)-9-carbamoyl-7-(dimethylamino)-1,6,8,12-tetrahydroxy-10,11-diketo-5-methyl-5,5a,6,6a,7,8,9,10a-octahydrotetracen-2-yl]carbamic acid isoamyl ester Formula: C28H37N3O9 MolecularWeight: 559.60808

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C3C(C(C(C(=O)C3C(=O)C2=C(C4=C1C=CC(=C4O)NC(=O)OCCC(C)C)O)C(=O)N)O)N(C)C)O

Isomeric SMILES

C[C@@H]1C2[C@@H](C3[C@@H](C(C(C(=O)C3C(=O)C2=C(C4=C1C=CC(=C4O)NC(=O)OCCC(C)C)O)C(=O)N)O)N(C)C)O

InChI

InChI=1S/C28H37N3O9/c1-10(2)8-9-40-28(39)30-13-7-6-12-11(3)14-17(23(34)15(12)21(13)32)24(35)18-16(22(14)33)20(31(4)5)26(37)19(25(18)36)27(29)38/h6-7,10-11,14,16,18-20,22,26,32-34,37H,8-9H2,1-5H3,(H2,29,38)(H,30,39)/t11-,14?,16?,18?,19?,20-,22-,26?/m0/s1