(2R)-2-[[(2S)-2-[2-[(4S,5S,6R)-5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-oxan-4-yl]oxypropanoylamino]propanoyl]amino]-N'-[4-[(1-nitroacridin-9-yl)amino]butyl]pentanediamide

Systemtic Name: (2R)-2-[[(2S)-2-[2-[(4S,5S,6R)-5-acetamido-2-(hydroxymethyl)-3-oxidanyl-6-phenylmethoxy-oxan-4-yl]oxypropanoylamino]propanoyl]amino]-N'-[4-[(1-nitroacridin-9-yl)amino]butyl]pentanediamide Openeye Name: (2R)-2-[[(2S)-2-[2-[(2R,3S,4S)-3-acetamido-2-benzyloxy-5-hydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-N'-[4-[(1-nitroacridin-9-yl)amino]butyl]pentanediamide CAS Name: (2R)-2-[[(2S)-2-[[2-[[(4S,5S,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxy-4-oxanyl]oxy]-1-oxopropyl]amino]-1-oxopropyl]amino]-N'-[4-[(1-nitro-9-acridinyl)amino]butyl]pentanediamide IUPAC Name: (2R)-2-[[(2S)-2-[2-[(4S,5S,6R)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-phenylmethoxyoxan-4-yl]oxypropanoylamino]propanoyl]amino]-N'-[4-[(1-nitroacridin-9-yl)amino]butyl]pentanediamide Traditional Name: (2R)-2-[[(2S)-2-[2-[(2R,3S,4S)-3-acetamido-2-benzoxy-5-hydroxy-6-methylol-tetrahydropyran-4-yl]oxypropanoylamino]propanoyl]amino]-N'-[4-[(1-nitroacridin-9-yl)amino]butyl]glutaramide Formula: C43H54N8O12 MolecularWeight: 874.93526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CCC(=O)NCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)OC4C(C(OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)N[C@H](CCC(=O)NCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])C(=O)N)NC(=O)C(C)O[C@H]4[C@@H]([C@@H](OC(C4O)CO)OCC5=CC=CC=C5)NC(=O)C

InChI

InChI=1S/C43H54N8O12/c1-24(47-42(58)25(2)62-39-37(48-26(3)53)43(63-33(22-52)38(39)55)61-23-27-12-5-4-6-13-27)41(57)50-31(40(44)56)18-19-34(54)45-20-9-10-21-46-36-28-14-7-8-15-29(28)49-30-16-11-17-32(35(30)36)51(59)60/h4-8,11-17,24-25,31,33,37-39,43,52,55H,9-10,18-23H2,1-3H3,(H2,44,56)(H,45,54)(H,46,49)(H,47,58)(H,48,53)(H,50,57)/t24-,25?,31+,33?,37-,38?,39-,43+/m0/s1