BAM 22P acetate

Iupac Name

(5S,8S,11S,14S,17S,20S,23S,26S,29S,32S)-26,29-bis((1H-indol-3-yl)methyl)-32-((((S)-1-((2S,8S,11S,14S,17S,20S,29S)-29-amino-20-benzyl-2,11,14-tris(3-guanidinopropyl)-4,7,10,13,16,19,22,25,28-nonahydroxy-30-(4-hydroxyphenyl)-8-isopropyl-17-(2-(methylthio)ethyl)-3,6,9,12,15,18,21,24,27-nonaazatriaconta-3,6,9,12,15,18,21,24,27-nonaenoyl)pyrrolidin-2-yl)(hydroxy)methylene)amino)-11-(4-aminobutyl)-20-(carboxymethyl)-8-(3-guanidinopropyl)-4,7,10,13,16,19,22,25,28,31-decahydroxy-14-(3-hydroxy-3-iminopropyl)-5,17-bis(4-hydroxybenzyl)-23-(2-(methylthio)ethyl)-3,6,9,12,15,18,21,24,27,30-decaazapentatriaconta-3,6,9,12,15,18,21,24,27,30-decaenedioic acid--acetic acid (1/1)

Inchi Code

1S/C130H184N38O31S2.C2H4O2/c1-70(2)108(167-118(191)88(28-16-52-144-129(138)139)157-112(185)86(26-14-50-142-127(134)135)156-116(189)91(47-55-200-3)159-119(192)95(58-71-19-6-5-7-20-71)153-103(174)67-148-102(173)66-149-109(182)82(132)57-72-31-37-77(169)38-32-72)125(198)150-68-104(175)152-93(29-17-53-145-130(140)141)126(199)168-54-18-30-100(168)124(197)161-90(44-46-105(176)177)115(188)164-98(62-76-65-147-84-24-11-9-22-81(76)84)122(195)165-97(61-75-64-146-83-23-10-8-21-80(75)83)121(194)160-92(48-56-201-4)117(190)166-99(63-106(178)179)123(196)163-96(60-74-35-41-79(171)42-36-74)120(193)158-89(43-45-101(133)172)114(187)154-85(25-12-13-49-131)111(184)155-87(27-15-51-143-128(136)137)113(186)162-94(110(183)151-69-107(180)181)59-73-33-39-78(170)40-34-73;1-2(3)4/h5-11,19-24,31-42,64-65,70,82,85-100,108,146-147,169-171H,12-18,25-30,43-63,66-69,131-132H2,1-4H3,(H2,133,172)(H,148,173)(H,149,182)(H,150,198)(H,151,183)(H,152,175)(H,153,174)(H,154,187)(H,155,184)(H,156,189)(H,157,185)(H,158,193)(H,159,192)(H,160,194)(H,161,197)(H,162,186)(H,163,196)(H,164,188)(H,165,195)(H,166,190)(H,167,191)(H,176,177)(H,178,179)(H,180,181)(H4,134,135,142)(H4,136,137,143)(H4,138,139,144)(H4,140,141,145);1H3,(H,3,4)/t82-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,108-;/m0./s1

InChI key

VXTCSZSSJBLITI-COVUNSQFSA-N