NOTA-AE105

Iupac Name

(2S,5S,8S,11S,14R,17R,20S,23S,26S)-5-((1H-indol-3-yl)methyl)-20-benzyl-26-((2-(4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl)-1-hydroxyethylidene)amino)-23-(cyclohexylmethyl)-14-(3-guanidinopropyl)-4,7,10,13,16,19,22,25-octahydroxy-11-(4-hydroxybenzyl)-2,17-bis(hydroxymethyl)-8-isobutyl-3,6,9,12,15,18,21,24-octaazaoctacosa-3,6,9,12,15,18,21,24-octaenedioic acid

Inchi Code

1S/C72H102N16O20/c1-42(2)30-51(64(100)83-55(68(104)85-58(41-90)71(107)108)34-46-36-76-49-17-10-9-16-48(46)49)79-65(101)54(33-45-19-21-47(91)22-20-45)80-63(99)50(18-11-23-75-72(73)74)78-70(106)57(40-89)84-67(103)53(32-44-14-7-4-8-15-44)81-66(102)52(31-43-12-5-3-6-13-43)82-69(105)56(35-60(93)94)77-59(92)37-86-24-26-87(38-61(95)96)28-29-88(27-25-86)39-62(97)98/h4,7-10,14-17,19-22,36,42-43,50-58,76,89-91H,3,5-6,11-13,18,23-35,37-41H2,1-2H3,(H,77,92)(H,78,106)(H,79,101)(H,80,99)(H,81,102)(H,82,105)(H,83,100)(H,84,103)(H,85,104)(H,93,94)(H,95,96)(H,97,98)(H,107,108)(H4,73,74,75)/t50-,51+,52+,53+,54+,55+,56+,57-,58+/m1/s1

InChI key

QYDKPVWTZOEIPR-WKDKGDAESA-N