2-[2-[2-[5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-oxan-4-yl]oxyethanoylamino]propanoylamino]-N'-[4-[(4-nitro-9-oxidanylidene-10H-acridin-1-yl)amino]butyl]pentanediamide

Systemtic Name: 2-[2-[2-[5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-oxan-4-yl]oxyethanoylamino]propanoylamino]-N'-[4-[(4-nitro-9-oxidanylidene-10H-acridin-1-yl)amino]butyl]pentanediamide Openeye Name: 2-[2-[[2-[3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxyacetyl]amino]propanoylamino]-N'-[4-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]butyl]pentanediamide CAS Name: 2-[[2-[[2-[[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxy-4-oxanyl]oxy]-1-oxoethyl]amino]-1-oxopropyl]amino]-N'-[4-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]butyl]pentanediamide IUPAC Name: 2-[2-[[2-[5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxyacetyl]amino]propanoylamino]-N'-[4-[(4-nitro-9-oxo-10H-acridin-1-yl)amino]butyl]pentanediamide Traditional Name: 2-[2-[[2-(3-acetamido-2-benzoxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl)oxyacetyl]amino]propanoylamino]-N'-[4-[(9-keto-4-nitro-10H-acridin-1-yl)amino]butyl]glutaramide Formula: C42H52N8O13 MolecularWeight: 876.90808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)NCCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C

Isomeric SMILES

CC(C(=O)NC(CCC(=O)NCCCCNC1=C2C(=C(C=C1)[N+](=O)[O-])NC3=CC=CC=C3C2=O)C(=O)N)NC(=O)COC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C

InChI

InChI=1S/C42H52N8O13/c1-23(46-33(54)22-61-39-36(47-24(2)52)42(63-31(20-51)38(39)56)62-21-25-10-4-3-5-11-25)41(58)49-29(40(43)57)15-17-32(53)45-19-9-8-18-44-28-14-16-30(50(59)60)35-34(28)37(55)26-12-6-7-13-27(26)48-35/h3-7,10-14,16,23,29,31,36,38-39,42,44,51,56H,8-9,15,17-22H2,1-2H3,(H2,43,57)(H,45,53)(H,46,54)(H,47,52)(H,48,55)(H,49,58)