[(2S,4S)-4-(4-azanyl-6-methyl-5-phenylmethoxy-oxan-2-yl)oxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]methyl N-phenylcarbamate chloride

Systemtic Name: [(2S,4S)-4-(4-azanyl-6-methyl-5-phenylmethoxy-oxan-2-yl)oxy-2,5,12-tris(oxidanyl)-6,11-bis(oxidanylidene)-3,4-dihydro-1H-tetracen-2-yl]methyl N-phenylcarbamate chloride Openeye Name: [(2S,4S)-4-(4-amino-5-benzyloxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]methyl N-phenylcarbamate chloride CAS Name: N-phenylcarbamic acid [(2S,4S)-4-[(4-amino-6-methyl-5-phenylmethoxy-2-oxanyl)oxy]-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]methyl ester chloride IUPAC Name: [(2S,4S)-4-(4-amino-6-methyl-5-phenylmethoxyoxan-2-yl)oxy-2,5,12-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]methyl N-phenylcarbamate chloride Traditional Name: N-phenylcarbamic acid [(2S,4S)-4-(4-amino-5-benzoxy-6-methyl-tetrahydropyran-2-yl)oxy-2,5,12-trihydroxy-6,11-diketo-3,4-dihydro-1H-tetracen-2-yl]methyl ester chloride Formula: C39H38ClN2O10- MolecularWeight: 730.17942

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(COC(=O)NC6=CC=CC=C6)O)N)OCC7=CC=CC=C7.[Cl-]

Isomeric SMILES

CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=CC=CC=C5C4=O)O)(COC(=O)NC6=CC=CC=C6)O)N)OCC7=CC=CC=C7.[Cl-]

InChI

InChI=1S/C39H38N2O10.ClH/c1-21-37(48-19-22-10-4-2-5-11-22)27(40)16-29(50-21)51-28-18-39(47,20-49-38(46)41-23-12-6-3-7-13-23)17-26-30(28)36(45)32-31(35(26)44)33(42)24-14-8-9-15-25(24)34(32)43;/h2-15,21,27-29,37,44-45,47H,16-20,40H2,1H3,(H,41,46);1H/p-1/t21?,27?,28-,29?,37?,39-;/m0./s1