N-{(6S,9S,16S,22S,27aS,34S,37aS)-6-[(2R)-2-Butanyl]-16,22-bis(carboxymethyl)-9-[(1R)-1-hydroxyethyl]-5,8,11,13,15,18,21,24,27,33,37-undecaoxohexatriacontahydro-1H-pyrido[1,2-a]pyrrolo[1,2-z][1,4,7,10, 13,16,20,23,26,29]decaazacyclodotriacontin-34-yl}-N²-[(2E)-13-methyl-2-tetradecenoyl]-L-α-asparagine

More details:

• Systematic name

  N-{(6S,9S,16S,22S,27aS,34S,37aS)-6-[(2R)-2-Butanyl]-16,22-bis(carboxymethyl)-9-[(1R)-1-hydroxyethyl]-5,8,11,13,15,18,21,24,27,33,37-undecaoxohexatriacontahydro-1H-pyrido[1,2-a]pyrrolo[1,2-z][1,4,7,10, 13,16,20,23,26,29]decaazacyclodotriacontin-34-yl}-N~2~-[(2E)-13-methyl-2-tetradecenoyl]-L-alpha-asparagine

• SMILES

  CC(C)CCCCCCCCC/C=C/C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC(=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@@H]2CCCCN2C1=O)[C@@H](C)O)[C@H](C)CC

• Std. InChi

  InChI=1S/C58H90N12O20/c1-6-33(4)49-58(90)70-24-18-21-40(70)54(86)59-29-38(65-52(84)36(26-47(79)80)62-41(72)22-15-13-11-9-7-8-10-12-14-19-32(2)3)57(89)69-23-17-16-20-39(69)55(87)61-31-45(76)63-35(25-46(77)78)51(83)60-30-44(75)64-37(27-48(81)82)53(85)67-43(74)28-42(73)66-50(34(5)71)56(88)68-49/h15,22,32-40,49-50,71H,6-14,16-21,23-31H2,1-5H3,(H,59,86)(H,60,83)(H,61,87)(H,62,72)(H,63,76)(H,64,75)(H,65,84)(H,66,73)(H,68,88)(H,77,78)(H,79,80)(H,81,82)(H,67,74,85)/b22-15+/t33-,34-,35+,36+,37+,38+,39+,40+,49+,50+/m1/s1

• Std. InChIKey

  DSQHLPWCVYEPGM-GHJFOLTQSA-N

• Cite this record

  CSID:78443189, http://www.chemspider.com/Chemical-Structure.78443189.html (accessed 09:16, Jun 1, 2024)