Dentonin acetate

Iupac Name

(3S,6S,9S,15S,18S,21S,24S,27S)-27-(((2S,3R)-2-amino-1,3-dihydroxybutylidene)amino)-3-((((2S,3S)-1-(((S)-1-((S)-2-((3S,6S,12S,18S)-18-((S)-2-((((S)-1-(((S)-6-amino-1-(((R)-1,2-dicarboxyethyl)imino)-1-hydroxyhexan-2-yl)imino)-1-hydroxy-3-phenylpropan-2-yl)imino)(hydroxy)methyl)pyrrolidine-1-carbonyl)-3-benzyl-12-(carboxymethyl)-1,4,7,10,13,16,21-heptahydroxy-6-(hydroxymethyl)-21-imino-2,5,8,11,14,17-hexaazahenicosa-1,4,7,10,13,16-hexaen-1-yl)pyrrolidin-1-yl)-3-hydroxy-1-oxopropan-2-yl)imino)-1-hydroxy-3-methylpentan-2-yl)imino)(hydroxy)methyl)-18-(2-carboxyethyl)-9-(carboxymethyl)-15-(3-guanidinopropyl)-5,8,11,14,17,20,23,26-octahydroxy-6-(2-hydroxy-2-iminoethyl)-21-(3-hydroxy-3-iminopropyl)-24-isobutyl-4,7,10,13,16,19,22,25-octaazanonacosa-4,7,10,13,16,19,22,25-octaenedioic acid--acetic acid (1/1)

Inchi Code

1S/C107H160N30O42.C2H4O2/c1-6-51(4)86(135-99(171)67(43-83(155)156)128-96(168)63(39-75(111)143)127-97(169)65(41-81(151)152)121-78(146)46-116-87(159)55(23-15-33-115-107(113)114)122-92(164)58(28-31-79(147)148)124-91(163)57(26-29-73(109)141)125-93(165)60(36-50(2)3)126-98(170)66(42-82(153)154)131-102(174)85(112)52(5)140)103(175)134-70(49-139)105(177)137-35-17-25-72(137)101(173)130-62(38-54-20-11-8-12-21-54)95(167)133-69(48-138)89(161)118-47-77(145)120-64(40-80(149)150)88(160)117-45-76(144)119-59(27-30-74(110)142)104(176)136-34-16-24-71(136)100(172)129-61(37-53-18-9-7-10-19-53)94(166)123-56(22-13-14-32-108)90(162)132-68(106(178)179)44-84(157)158;1-2(3)4/h7-12,18-21,50-52,55-72,85-86,138-140H,6,13-17,22-49,108,112H2,1-5H3,(H2,109,141)(H2,110,142)(H2,111,143)(H,116,159)(H,117,160)(H,118,161)(H,119,144)(H,120,145)(H,121,146)(H,122,164)(H,123,166)(H,124,163)(H,125,165)(H,126,170)(H,127,169)(H,128,168)(H,129,172)(H,130,173)(H,131,174)(H,132,162)(H,133,167)(H,134,175)(H,135,171)(H,147,148)(H,149,150)(H,151,152)(H,153,154)(H,155,156)(H,157,158)(H,178,179)(H4,113,114,115);1H3,(H,3,4)/t51-,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68+,69-,70-,71-,72-,85-,86-;/m0./s1

InChI key

CVWMFQSUXGRLLV-ADSXSVHESA-N