(2S)-2-[(6R,9R,15S,21S,24S,26aR,33S,34R,36aS)-9-[(1R)-1-Aminoethyl]-15,21-bis(carboxymethyl)-6-isopropyl-34-methyl-33-({N²-[(3Z)-12-methyl-3-tetradecenoyl]-L-asparaginyl}amino)-5,8,11,14,17,20,23,26 ,32,36-decaoxotetratriacontahydro-1H,5H-pyrido[1,2-a]pyrrolo[1,2-y][1,4,7,10,13,16,19,22,25,28]decaazacyclohentriacontin-24-yl]propanoic acid

More details:

• Systematic name

  (2S)-2-[(6R,9R,15S,21S,24S,26aR,33S,34R,36aS)-9-[(1R)-1-Aminoethyl]-15,21-bis(carboxymethyl)-6-isopropyl-34-methyl-33-({N~2~-[(3Z)-12-methyl-3-tetradecenoyl]-L-asparaginyl}amino)-5,8,11,14,17,20,23,26 ,32,36-decaoxotetratriacontahydro-1H,5H-pyrido[1,2-a]pyrrolo[1,2-y][1,4,7,10,13,16,19,22,25,28]decaazacyclohentriacontin-24-yl]propanoic acid

• SMILES

  CC(C)[C@H]1NC(=O)[C@H](NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H]2CCCCN2C(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)C/C=C\CCCCCCCC(C)CC)[C@@H](C)NC(=O)[C@@H]2CCCN2C1=O)[C@H](C)C(O)=O)[C@@H](C)N

• Std. InChi

  InChI=1S/C60H96N14O19/c1-8-32(4)20-15-13-11-9-10-12-14-16-23-42(76)66-36(26-41(62)75)53(85)72-50-35(7)65-54(86)40-22-19-25-74(40)58(90)47(31(2)3)70-57(89)49(34(6)61)69-44(78)30-64-51(83)37(27-45(79)80)67-43(77)29-63-52(84)38(28-46(81)82)68-56(88)48(33(5)60(92)93)71-55(87)39-21-17-18-24-73(39)59(50)91/h14,16,31-40,47-50H,8-13,15,17-30,61H2,1-7H3,(H2,62,75)(H,63,84)(H,64,83)(H,65,86)(H,66,76)(H,67,77)(H,68,88)(H,69,78)(H,70,89)(H,71,87)(H,72,85)(H,79,80)(H,81,82)(H,92,93)/b16-14-/t32?,33-,34+,35+,36-,37-,38-,39+,40-,47+,48-,49+,50-/m0/s1

• Std. InChIKey

  YCENLAAIZVXNOG-JCDMCXPCSA-N

• Cite this record

  CSID:78438731, http://www.chemspider.com/Chemical-Structure.78438731.html (accessed 20:55, May 19, 2024)