Scvwipcisaalgcscknkvcyrngipcge

Structural Information

Molecular Formula

C₁₃₄H₂₁₄N₃₈O₃₈S₆

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N1)CS)[C@@H](C)CC)CC4=CNC5=CC=CC=C54)C(C)C)CS)CO)CCC(=O)O)CS)[C@@H](C)CC)CC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O)CS)C(C)C)CCCCN)CC(=O)N)CCCCN)CS)CO)CS)CC(C)C)C)C)CO

InChI

InChI=1S/C134H214N38O38S6/c1-15-66(10)104-131(208)160-85(54-173)119(196)147-69(13)107(184)146-70(14)108(185)153-80(45-63(4)5)109(186)143-52-99(180)149-89(58-212)122(199)159-87(56-175)121(198)161-90(59-213)123(200)152-76(29-20-22-40-135)112(189)156-84(49-97(138)178)117(194)150-77(30-21-23-41-136)115(192)167-103(65(8)9)130(207)165-91(60-214)124(201)154-81(46-71-34-36-73(176)37-35-71)116(193)151-78(31-24-42-141-134(139)140)113(190)155-83(48-96(137)177)110(187)144-53-100(181)166-105(67(11)16-2)132(209)171-43-25-32-94(171)127(204)163-88(57-211)111(188)145-51-98(179)148-79(38-39-101(182)183)114(191)158-86(55-174)120(197)162-92(61-215)125(202)168-102(64(6)7)129(206)157-82(47-72-50-142-75-28-19-18-27-74(72)75)118(195)170-106(68(12)17-3)133(210)172-44-26-33-95(172)128(205)164-93(62-216)126(203)169-104/h18-19,27-28,34-37,50,63-70,76-95,102-106,142,173-176,211-216H,15-17,20-26,29-33,38-49,51-62,135-136H2,1-14H3,(H2,137,177)(H2,138,178)(H,143,186)(H,144,187)(H,145,188)(H,146,184)(H,147,196)(H,148,179)(H,149,180)(H,150,194)(H,151,193)(H,152,200)(H,153,185)(H,154,201)(H,155,190)(H,156,189)(H,157,206)(H,158,191)(H,159,199)(H,160,208)(H,161,198)(H,162,197)(H,163,204)(H,164,205)(H,165,207)(H,166,181)(H,167,192)(H,168,202)(H,169,203)(H,170,195)(H,182,183)(H4,139,140,141)/t66-,67-,68-,69-,70-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,102-,103-,104-,105-,106-/m0/s1

InChIKey

ARUQGMAAKKVWHL-UBIDWWFKSA-N

Compound name

3-[(3S,6S,9S,12R,15S,18S,24R,27S,33S,39S,42S,45S,48R,51S,54S,57S,60S,63R,66S,69R,75S,78S,81S,84S,87S,90R,93S)-54,60-bis(4-aminobutyl)-39,57-bis(2-amino-2-oxoethyl)-3,33,87-tris[(2S)-butan-2-yl]-42-(3-carbamimidamidopropyl)-15,66,84-tris(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-6-(1H-indol-3-ylmethyl)-78,81-dimethyl-75-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92-triacontaoxo-9,51-di(propan-2-yl)-12,24,48,63,69,90-hexakis(sulfanylmethyl)-1,4,7,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91-triacontazatricyclo[91.3.0.027,31]hexanonacontan-18-yl]propanoic acid

Related CIDs

• CID 16130183