[5-acetamido-4-[2-[[1-[[1-azanyl-5-methoxy-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]-3-oxidanyl-6-phenylmethoxy-oxan-2-yl]methyl 11-[(6-bromanyl-4-nitro-9-oxidanylidene-10H-acridin-1-yl)carbonylamino]undecanoate

Systemtic Name: [5-acetamido-4-[2-[[1-[[1-azanyl-5-methoxy-1,5-bis(oxidanylidene)pentan-2-yl]amino]-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethoxy]-3-oxidanyl-6-phenylmethoxy-oxan-2-yl]methyl 11-[(6-bromanyl-4-nitro-9-oxidanylidene-10H-acridin-1-yl)carbonylamino]undecanoate Openeye Name: [5-acetamido-6-benzyloxy-4-[2-[[2-[(1-carbamoyl-4-methoxy-4-oxo-butyl)amino]-1-methyl-2-oxo-ethyl]amino]-2-oxo-ethoxy]-3-hydroxy-tetrahydropyran-2-yl]methyl 11-[(6-bromo-4-nitro-9-oxo-10H-acridine-1-carbonyl)amino]undecanoate CAS Name: 11-[[(6-bromo-4-nitro-9-oxo-10H-acridin-1-yl)-oxomethyl]amino]undecanoic acid [5-acetamido-4-[2-[[1-[(1-amino-5-methoxy-1,5-dioxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]-3-hydroxy-6-phenylmethoxy-2-oxanyl]methyl ester IUPAC Name: [5-acetamido-4-[2-[[1-[(1-amino-5-methoxy-1,5-dioxopentan-2-yl)amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]-3-hydroxy-6-phenylmethoxyoxan-2-yl]methyl 11-[(6-bromo-4-nitro-9-oxo-10H-acridine-1-carbonyl)amino]undecanoate Traditional Name: 11-[(6-bromo-9-keto-4-nitro-10H-acridine-1-carbonyl)amino]undecanoic acid [5-acetamido-6-benzoxy-4-[2-[[2-[(1-carbamoyl-4-keto-4-methoxy-butyl)amino]-2-keto-1-methyl-ethyl]amino]-2-keto-ethoxy]-3-hydroxy-tetrahydropyran-2-yl]methyl ester Formula: C51H64BrN7O16 MolecularWeight: 1110.99516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)OC)C(=O)N)NC(=O)COC1C(C(OC(C1O)COC(=O)CCCCCCCCCCNC(=O)C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=O)C=CC(=C4)Br)OCC5=CC=CC=C5)NC(=O)C

Isomeric SMILES

CC(C(=O)NC(CCC(=O)OC)C(=O)N)NC(=O)COC1C(C(OC(C1O)COC(=O)CCCCCCCCCCNC(=O)C2=C3C(=C(C=C2)[N+](=O)[O-])NC4=C(C3=O)C=CC(=C4)Br)OCC5=CC=CC=C5)NC(=O)C

InChI

InChI=1S/C51H64BrN7O16/c1-29(49(67)58-35(48(53)66)21-23-40(62)71-3)55-39(61)28-73-47-44(56-30(2)60)51(74-26-31-15-11-10-12-16-31)75-38(46(47)65)27-72-41(63)17-13-8-6-4-5-7-9-14-24-54-50(68)34-20-22-37(59(69)70)43-42(34)45(64)33-19-18-32(52)25-36(33)57-43/h10-12,15-16,18-20,22,25,29,35,38,44,46-47,51,65H,4-9,13-14,17,21,23-24,26-28H2,1-3H3,(H2,53,66)(H,54,68)(H,55,61)(H,56,60)(H,57,64)(H,58,67)