2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxypropyl]-1,2,3-triazol-1-yl]-N-[3-[2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxypropyl]-1,2,3-triazol-1-yl]ethanoylamino]-6-phenyl-phenanthridin-8-yl]ethanamide

Systemtic Name: 2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxypropyl]-1,2,3-triazol-1-yl]-N-[3-[2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxypropyl]-1,2,3-triazol-1-yl]ethanoylamino]-6-phenyl-phenanthridin-8-yl]ethanamide Openeye Name: 2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]propyl]triazol-1-yl]-N-[3-[[2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]propyl]triazol-1-yl]acetyl]amino]-6-phenyl-phenanthridin-8-yl]acetamide CAS Name: 2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxypropyl]-1-triazolyl]-N-[3-[[2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxypropyl]-1-triazolyl]-1-oxoethyl]amino]-6-phenyl-8-phenanthridinyl]acetamide IUPAC Name: 2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxypropyl]triazol-1-yl]-N-[3-[[2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxypropyl]triazol-1-yl]acetyl]amino]-6-phenylphenanthridin-8-yl]acetamide Traditional Name: 2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]propyl]triazol-1-yl]-N-[3-[[2-[4-[3-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]propyl]triazol-1-yl]acetyl]amino]-6-phenyl-phenanthridin-8-yl]acetamide Formula: C45H57N13O8 MolecularWeight: 908.01638

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C(C1N)OCCCC2=CN(N=N2)CC(=O)NC3=CC4=C(N=C5C=C(C=CC5=C4C=C3)NC(=O)CN6C=C(N=N6)CCCOC7C(CC(C(C7O)O)N)N)C8=CC=CC=C8)O)O)N

Isomeric SMILES

C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)OCCCC2=CN(N=N2)CC(=O)NC3=CC4=C(N=C5C=C(C=CC5=C4C=C3)NC(=O)CN6C=C(N=N6)CCCO[C@@H]7[C@H](C[C@H]([C@@H]([C@H]7O)O)N)N)C8=CC=CC=C8)O)O)N

InChI

InChI=1S/C45H57N13O8/c46-32-18-34(48)44(42(63)40(32)61)65-14-4-8-27-20-57(55-53-27)22-37(59)50-25-10-12-29-30-13-11-26(17-36(30)52-39(31(29)16-25)24-6-2-1-3-7-24)51-38(60)23-58-21-28(54-56-58)9-5-15-66-45-35(49)19-33(47)41(62)43(45)64/h1-3,6-7,10-13,16-17,20-21,32-35,40-45,61-64H,4-5,8-9,14-15,18-19,22-23,46-49H2,(H,50,59)(H,51,60)/t32-,33-,34+,35+,40+,41+,42-,43-,44-,45-/m1/s1