PSMA-Val-Cit-PAB-MMAE

Iupac Name

(3S,7S,25S,28S)-25-benzyl-33-(4-(4-(((S)-1-(((S)-1-((4-((5S,8S,11S,12R)-11-((S)-sec-butyl)-6-hydroxy-12-(2-((S)-2-((1R,2R)-3-hydroxy-3-(((1S,2R)-1-hydroxy-1-phenylpropan-2-yl)imino)-1-methoxy-2-methylpropyl)pyrrolidin-1-yl)-2-oxoethyl)-5,8-diisopropyl-4,10-dimethyl-3,9-dioxo-2,13-dioxa-4,7,10-triazatetradec-6-en-1-yl)phenyl)amino)-5-((hydroxy(imino)methyl)amino)-1-oxopentan-2-yl)imino)-1-hydroxy-3-methylbutan-2-yl)imino)-4-hydroxybutyl)-1H-1,2,3-triazol-1-yl)-12-(3-chlorobenzyl)-5,20,23,26,29-pentahydroxy-28-(4-hydroxybenzyl)-13-oxo-4,6,12,19,24,27,30-heptaazatritriaconta-5,19,23,26,29-pentaene-1,3,7-tricarboxylic acid

Inchi Code

1S/C114H165ClN20O26/c1-15-72(8)100(90(159-13)65-95(141)135-61-30-41-89(135)102(160-14)73(9)103(145)120-74(10)101(144)79-35-21-17-22-36-79)131(11)109(151)98(70(4)5)128-108(150)99(71(6)7)132(12)114(158)161-68-77-44-48-81(49-45-77)121-105(147)84(40-29-57-119-112(116)156)123-107(149)97(69(2)3)127-92(138)42-28-38-82-67-134(130-129-82)60-31-58-118-104(146)87(64-76-46-50-83(136)51-47-76)124-106(148)88(63-75-32-19-16-20-33-75)122-93(139)54-53-91(137)117-56-25-18-23-43-94(140)133(66-78-34-27-37-80(115)62-78)59-26-24-39-85(110(152)153)125-113(157)126-86(111(154)155)52-55-96(142)143/h16-17,19-22,27,32-37,44-51,62,67,69-74,84-90,97-102,136,144H,15,18,23-26,28-31,38-43,52-61,63-66,68H2,1-14H3,(H,117,137)(H,118,146)(H,120,145)(H,121,147)(H,122,139)(H,123,149)(H,124,148)(H,127,138)(H,128,150)(H,142,143)(H,152,153)(H,154,155)(H3,116,119,156)(H2,125,126,157)/t72-,73+,74+,84-,85-,86-,87-,88-,89-,90+,97-,98-,99-,100-,101+,102+/m0/s1

InChI key

HQGAXUPTPWZFGA-OESYFJANSA-N