Cyclic (scvfipcisaaigcscknkvcyrngfpcge)

Structural Information

Molecular Formula

C₁₃₅H₂₁₁N₃₇O₃₈S₆

SMILES

CC[C@H](C)[C@H]1C(=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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C)C)CO)[C@@H](C)CC)CS)[C@@H](C)CC)CC4=CC=CC=C4)C(C)C)CS)CO)CCC(=O)O)CS)CC5=CC=CC=C5)CC(=O)N)CCCNC(=N)N)CC6=CC=C(C=C6)O)CS)C(C)C)CCCCN)CC(=O)N)CCCCN)CS)CO)CS

InChI

InChI=1S/C135H211N37O38S6/c1-13-68(8)105-129(205)145-56-101(181)150-90(61-212)122(198)159-88(59-175)121(197)161-91(62-213)123(199)153-77(33-22-24-44-136)112(188)156-84(53-98(139)178)117(193)151-78(34-23-25-45-137)115(191)166-104(67(6)7)131(207)165-92(63-214)124(200)154-81(50-75-38-40-76(176)41-39-75)116(192)152-79(35-26-46-142-135(140)141)113(189)155-83(52-97(138)177)110(186)143-55-100(180)149-85(51-74-31-20-17-21-32-74)133(209)171-47-27-36-95(171)127(203)163-89(60-211)111(187)144-54-99(179)148-80(42-43-102(182)183)114(190)158-87(58-174)120(196)162-93(64-215)125(201)167-103(66(4)5)130(206)157-82(49-73-29-18-16-19-30-73)118(194)170-107(70(10)15-3)134(210)172-48-28-37-96(172)128(204)164-94(65-216)126(202)169-106(69(9)14-2)132(208)160-86(57-173)119(195)147-71(11)108(184)146-72(12)109(185)168-105/h16-21,29-32,38-41,66-72,77-96,103-107,173-176,211-216H,13-15,22-28,33-37,42-65,136-137H2,1-12H3,(H2,138,177)(H2,139,178)(H,143,186)(H,144,187)(H,145,205)(H,146,184)(H,147,195)(H,148,179)(H,149,180)(H,150,181)(H,151,193)(H,152,192)(H,153,199)(H,154,200)(H,155,189)(H,156,188)(H,157,206)(H,158,190)(H,159,198)(H,160,208)(H,161,197)(H,162,196)(H,163,203)(H,164,204)(H,165,207)(H,166,191)(H,167,201)(H,168,185)(H,169,202)(H,170,194)(H,182,183)(H4,140,141,142)/t68-,69-,70-,71-,72-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,103-,104-,105-,106-,107-/m0/s1

InChIKey

CCGYMKABFUJOJA-CMYGWODQSA-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)-6,33-dibenzyl-3,75,87-tris[(2S)-butan-2-yl]-42-(3-carbamimidamidopropyl)-15,66,84-tris(hydroxymethyl)-45-[(4-hydroxyphenyl)methyl]-78,81-dimethyl-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 16131665