(2S,6S,9S,16S)-16-{(S)-{[(2S,3R,4R,5R)-5-(Aminomethyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]oxy}[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}- 9-{(1S)-1-[(13-carbamimidamidotridecanoyl)oxy]-2-methylpropyl}-6-[(4S)-2-iminohexahydro-4-pyrimidinyl]-2-isopropyl-4,7,10-trioxo-3,5,8,11,15-pentaazaheptadecane-1,17-dioic acid (non-preferred name)

More details:

• Systematic name

  (2S,6S,9S,16S)-16-{(S)-{[(2S,3R,4R,5R)-5-(Aminomethyl)-4-hydroxy-3-methoxytetrahydro-2-furanyl]oxy}[(2S,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methyl}- 9-{(1S)-1-[(13-carbamimidamidotridecanoyl)oxy]-2-methylpropyl}-6-[(4S)-2-iminohexahydro-4-pyrimidinyl]-2-isopropyl-4,7,10-trioxo-3,5,8,11,15-pentaazaheptadecane-1,17-dioic acid (non-preferred name)

• SMILES

  CC(C)[C@@H]([C@@H](C(=O)NCCCN[C@@H]([C@@H]([C@@H]1[C@H]([C@H]([C@@H](O1)n2ccc(=O)[nH]c2=O)O)O)O[C@H]3[C@@H]([C@@H]([C@H](O3)CN)O)OC)C(=O)O)NC(=O)[C@H]([C@@H]4CCNC(=N)N4)NC(=O)N[C@@H](C(C)C)C(=O)O)OC(=O)CCCCCCCCCCCCNC(=N)N

• Std. InChi

  InChI=1S/C52H90N14O18/c1-26(2)32(46(74)75)64-51(78)65-33(28-18-23-60-50(56)61-28)44(73)63-34(39(27(3)4)82-31(68)17-14-12-10-8-6-7-9-11-13-15-20-59-49(54)55)43(72)58-22-16-21-57-35(47(76)77)40(84-48-42(80-5)36(69)29(25-53)81-48)41-37(70)38(71)45(83-41)66-24-19-30(67)62-52(66)79/h19,24,26-29,32-42,45,48,57,69-71H,6-18,20-23,25,53H2,1-5H3,(H,58,72)(H,63,73)(H,74,75)(H,76,77)(H4,54,55,59)(H3,56,60,61)(H,62,67,79)(H2,64,65,78)/t28-,29+,32-,33-,34-,35-,36+,37-,38+,39-,40-,41-,42+,45+,48-/m0/s1

• Std. InChIKey

  AUKOLPAKZXZQFT-SDTQCLEHSA-N

• Cite this record

  CSID:34500888, http://www.chemspider.com/Chemical-Structure.34500888.html (accessed 16:40, May 4, 2024)