[[11-[[(2R)-1-[[(2R)-4-[2,6-bis(chloranyl)phenyl]carbonyloxy-3-oxidanylidene-1-phenyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-11-oxidanylidene-undecyl]amino] 3',6'-bis(dimethylamino)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylate

Systemtic Name: [[11-[[(2R)-1-[[(2R)-4-[2,6-bis(chloranyl)phenyl]carbonyloxy-3-oxidanylidene-1-phenyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-11-oxidanylidene-undecyl]amino] 3',6'-bis(dimethylamino)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-carboxylate Openeye Name: [[11-[[(1R)-1-[[(1R)-1-benzyl-3-(2,6-dichlorobenzoyl)oxy-2-oxo-propyl]carbamoyl]-3-methyl-butyl]amino]-11-oxo-undecyl]amino] 3',6'-bis(dimethylamino)-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-carboxylate CAS Name: 3',6'-bis(dimethylamino)-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]carboxylic acid [[11-[[(2R)-1-[[(2R)-4-[(2,6-dichlorophenyl)-oxomethoxy]-3-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-11-oxoundecyl]amino] ester IUPAC Name: [[11-[[(2R)-1-[[(2R)-4-(2,6-dichlorobenzoyl)oxy-3-oxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-11-oxoundecyl]amino] 3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylate Traditional Name: 3',6'-bis(dimethylamino)-3-keto-spiro[phthalan-1,9'-xanthene]-5-carboxylic acid [[11-[[(1R)-1-[[(1R)-1-benzyl-3-(2,6-dichlorobenzoyl)oxy-2-keto-propyl]carbamoyl]-3-methyl-butyl]amino]-11-keto-undecyl]amino] ester Formula: C59H67Cl2N5O10 MolecularWeight: 1077.09678

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CC=C2Cl)Cl)NC(=O)CCCCCCCCCCNOC(=O)C3=CC4=C(C=C3)C5(C6=C(C=C(C=C6)N(C)C)OC7=C5C=CC(=C7)N(C)C)OC4=O

Isomeric SMILES

CC(C)C[C@H](C(=O)N[C@H](CC1=CC=CC=C1)C(=O)COC(=O)C2=C(C=CC=C2Cl)Cl)NC(=O)CCCCCCCCCCNOC(=O)C3=CC4=C(C=C3)C5(C6=C(C=C(C=C6)N(C)C)OC7=C5C=CC(=C7)N(C)C)OC4=O

InChI

InChI=1S/C59H67Cl2N5O10/c1-37(2)31-49(55(69)64-48(32-38-19-14-13-15-20-38)50(67)36-73-58(72)54-46(60)21-18-22-47(54)61)63-53(68)23-16-11-9-7-8-10-12-17-30-62-76-56(70)39-24-27-43-42(33-39)57(71)75-59(43)44-28-25-40(65(3)4)34-51(44)74-52-35-41(66(5)6)26-29-45(52)59/h13-15,18-22,24-29,33-35,37,48-49,62H,7-12,16-17,23,30-32,36H2,1-6H3,(H,63,68)(H,64,69)/t48-,49-/m1/s1