Cyclic (scvfipclttvagcscknkvcyrngipcge)

Structural Information

Molecular Formula

C₁₃₃H₂₁₅N₃₇O₃₉S₆

SMILES

CC[C@H](C)[C@H]1C(=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)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)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)N1)CC(=O)N)CCCNC(=N)N)CC4=CC=C(C=C4)O)CS)C(C)C)CCCCN)CC(=O)N)CCCCN)CS)CO)CS)C)C(C)C)[C@@H](C)O)[C@@H](C)O)CC(C)C)CS)[C@@H](C)CC)CC5=CC=CC=C5)C(C)C)CS)CO)CCC(=O)O)CS

InChI

InChI=1S/C133H215N37O39S6/c1-16-66(11)102-131(208)169-44-26-33-91(169)124(201)159-85(56-210)108(185)143-52-95(178)145-77(39-40-98(181)182)111(188)155-83(54-171)117(194)158-90(61-215)123(200)164-100(64(7)8)127(204)154-80(47-71-28-19-18-20-29-71)116(193)166-103(67(12)17-2)132(209)170-45-27-34-92(170)125(202)160-88(59-213)121(198)150-78(46-62(3)4)115(192)167-104(69(14)173)130(207)168-105(70(15)174)129(206)165-99(63(5)6)126(203)144-68(13)106(183)141-51-96(179)146-86(57-211)119(196)156-84(55-172)118(195)157-87(58-212)120(197)149-74(30-21-23-41-134)109(186)153-82(50-94(137)177)114(191)147-75(31-22-24-42-135)112(189)163-101(65(9)10)128(205)161-89(60-214)122(199)151-79(48-72-35-37-73(175)38-36-72)113(190)148-76(32-25-43-140-133(138)139)110(187)152-81(49-93(136)176)107(184)142-53-97(180)162-102/h18-20,28-29,35-38,62-70,74-92,99-105,171-175,210-215H,16-17,21-27,30-34,39-61,134-135H2,1-15H3,(H2,136,176)(H2,137,177)(H,141,183)(H,142,184)(H,143,185)(H,144,203)(H,145,178)(H,146,179)(H,147,191)(H,148,190)(H,149,197)(H,150,198)(H,151,199)(H,152,187)(H,153,186)(H,154,204)(H,155,188)(H,156,196)(H,157,195)(H,158,194)(H,159,201)(H,160,202)(H,161,205)(H,162,180)(H,163,189)(H,164,200)(H,165,206)(H,166,193)(H,167,192)(H,168,207)(H,181,182)(H4,138,139,140)/t66-,67-,68-,69+,70+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,99-,100-,101-,102-,103-,104-,105-/m0/s1

InChIKey

IFDYBDFVLZPIDQ-FGLAMERDSA-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)-6-benzyl-3,33-bis[(2S)-butan-2-yl]-42-(3-carbamimidamidopropyl)-81,84-bis[(1R)-1-hydroxyethyl]-15,66-bis(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-75-methyl-87-(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-9,51,78-tri(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 16131664