N-[3-[3-butyl-7-(dimethylamino)-3-methyl-4-oxidanyl-1,1-bis(oxidanylidene)-4,5-dihydro-2H-1$l^{6}-benzothiepin-5-yl]phenyl]-5-[2,3,4,5,6-pentakis(oxidanyl)hexylamino]pentanamide

Systemtic Name: N-[3-[3-butyl-7-(dimethylamino)-3-methyl-4-oxidanyl-1,1-bis(oxidanylidene)-4,5-dihydro-2H-1$l^{6}-benzothiepin-5-yl]phenyl]-5-[2,3,4,5,6-pentakis(oxidanyl)hexylamino]pentanamide Openeye Name: N-[3-[3-butyl-7-(dimethylamino)-4-hydroxy-3-methyl-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-5-yl]phenyl]-5-(2,3,4,5,6-pentahydroxyhexylamino)pentanamide CAS Name: N-[3-[3-butyl-7-(dimethylamino)-4-hydroxy-3-methyl-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-5-yl]phenyl]-5-(2,3,4,5,6-pentahydroxyhexylamino)pentanamide IUPAC Name: N-[3-[3-butyl-7-(dimethylamino)-4-hydroxy-3-methyl-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-5-yl]phenyl]-5-(2,3,4,5,6-pentahydroxyhexylamino)pentanamide Traditional Name: N-[3-[3-butyl-7-(dimethylamino)-4-hydroxy-1,1-diketo-3-methyl-4,5-dihydro-2H-1$l^{6}-benzothiepin-5-yl]phenyl]-5-(2,3,4,5,6-pentahydroxyhexylamino)valeramide Formula: C34H53N3O9S MolecularWeight: 679.86432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)C(C1O)C3=CC(=CC=C3)NC(=O)CCCCNCC(C(C(C(CO)O)O)O)O)C

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)C(C1O)C3=CC(=CC=C3)NC(=O)CCCCNCC(C(C(C(CO)O)O)O)O)C

InChI

InChI=1S/C34H53N3O9S/c1-5-6-15-34(2)21-47(45,46)28-14-13-24(37(3)4)18-25(28)30(33(34)44)22-10-9-11-23(17-22)36-29(41)12-7-8-16-35-19-26(39)31(42)32(43)27(40)20-38/h9-11,13-14,17-18,26-27,30-33,35,38-40,42-44H,5-8,12,15-16,19-21H2,1-4H3,(H,36,41)