[(3S,6S,9S,12R,15S,16R)-6-(2-Aminoethyl)-12-benzyl-9-[(2S)-2-butanyl]-15-({19-[(diaminomethylene)amino]nonadecanoyl}amino)-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-3-yl]ac etic acid

More details:

• Systematic name

  [(3S,6S,9S,12R,15S,16R)-6-(2-Aminoethyl)-12-benzyl-9-[(2S)-2-butanyl]-15-({19-[(diaminomethylene)amino]nonadecanoyl}amino)-16-methyl-2,5,8,11,14-pentaoxo-1-oxa-4,7,10,13-tetraazacyclohexadecan-3-yl]ac etic acid

• SMILES

  CC[C@H](C)[C@@H]1NC(=O)[C@@H](CC2C=CC=CC=2)NC(=O)[C@@H](NC(=O)CCCCCCCCCCCCCCCCCCN=C(N)N)[C@@H](C)OC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCN)NC1=O

• Std. InChi

  InChI=1S/C47H79N9O9/c1-4-32(2)40-44(62)52-35(27-28-48)42(60)54-37(31-39(58)59)46(64)65-33(3)41(45(63)53-36(43(61)56-40)30-34-24-20-19-21-25-34)55-38(57)26-22-17-15-13-11-9-7-5-6-8-10-12-14-16-18-23-29-51-47(49)50/h19-21,24-25,32-33,35-37,40-41H,4-18,22-23,26-31,48H2,1-3H3,(H,52,62)(H,53,63)(H,54,60)(H,55,57)(H,56,61)(H,58,59)(H4,49,50,51)/t32-,33+,35-,36+,37-,40-,41-/m0/s1

• Std. InChIKey

  BASKMSALPGCWIZ-DGRIPJNKSA-N

• Cite this record

  CSID:78439724, http://www.chemspider.com/Chemical-Structure.78439724.html (accessed 13:22, May 21, 2024)