BAD (103-127) (human)

Iupac Name

(2S,5S,8S,11S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,44S)-44-(((2S,8S,11S,14S,17S,20S,23S,26S,29S)-23-((1H-indol-3-yl)methyl)-29-amino-2,11-bis(3-guanidinopropyl)-1,4,7,10,13,16,19,22,25,28,31-undecahydroxy-14-(3-hydroxy-3-iminopropyl)-8-(4-hydroxybenzyl)-31-imino-26-isobutyl-17,20-dimethyl-3,6,9,12,15,18,21,24,27-nonaazahentriaconta-3,6,9,12,15,18,21,24,27-nonaen-1-ylidene)amino)-2,5-bis(4-aminobutyl)-8,20-dibenzyl-23-(2-carboxyethyl)-14,26-bis(carboxymethyl)-35,38-bis(3-guanidinopropyl)-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecahydroxy-11,29-bis(hydroxymethyl)-41-isobutyl-17-isopropyl-32-(2-(methylthio)ethyl)-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaazaheptatetraconta-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaenedioic acid

Inchi Code

1S/C137H212N42O39S/c1-69(2)56-92(169-112(196)80(140)62-103(142)184)125(209)174-97(61-77-65-155-81-31-17-16-30-79(77)81)123(207)158-72(7)110(194)157-73(8)111(195)160-87(42-45-102(141)183)119(203)162-86(37-25-54-154-137(149)150)118(202)171-94(60-76-38-40-78(182)41-39-76)113(197)156-66-104(185)159-82(34-22-51-151-134(143)144)114(198)165-88(43-46-105(186)187)120(204)170-93(57-70(3)4)124(208)164-85(36-24-53-153-136(147)148)115(199)161-84(35-23-52-152-135(145)146)116(200)167-90(48-55-219-9)122(206)177-100(67-180)131(215)175-98(63-107(190)191)127(211)166-89(44-47-106(188)189)121(205)172-96(59-75-28-14-11-15-29-75)129(213)179-109(71(5)6)132(216)176-99(64-108(192)193)128(212)178-101(68-181)130(214)173-95(58-74-26-12-10-13-27-74)126(210)163-83(32-18-20-49-138)117(201)168-91(133(217)218)33-19-21-50-139/h10-17,26-31,38-41,65,69-73,80,82-101,109,155,180-182H,18-25,32-37,42-64,66-68,138-140H2,1-9H3,(H2,141,183)(H2,142,184)(H,156,197)(H,157,194)(H,158,207)(H,159,185)(H,160,195)(H,161,199)(H,162,203)(H,163,210)(H,164,208)(H,165,198)(H,166,211)(H,167,200)(H,168,201)(H,169,196)(H,170,204)(H,171,202)(H,172,205)(H,173,214)(H,174,209)(H,175,215)(H,176,216)(H,177,206)(H,178,212)(H,179,213)(H,186,187)(H,188,189)(H,190,191)(H,192,193)(H,217,218)(H4,143,144,151)(H4,145,146,152)(H4,147,148,153)(H4,149,150,154)/t72-,73-,80-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,109-/m0/s1

InChI key

NLSLFOGIVJOKDC-ZOKDAYPZSA-N