Cyclic (scvfipcisaaigcscknkvcyrngvipcge)

Structural Information

Molecular Formula

C₁₃₇H₂₂₂N₃₈O₃₉S₆

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)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)[C@@H](C)CC)C(C)C)CC(=O)N)CCCNC(=N)N)CC5=CC=C(C=C5)O)CS)C(C)C)CCCCN)CC(=O)N)CCCCN)CS)CO)CS

InChI

InChI=1S/C137H222N38O39S6/c1-17-68(11)105-130(208)147-54-99(183)151-89(60-216)123(201)160-87(58-178)122(200)162-90(61-217)124(202)154-77(33-24-26-44-138)113(191)157-84(52-97(141)181)118(196)152-78(34-25-27-45-139)116(194)168-104(67(9)10)132(210)166-91(62-218)125(203)155-81(50-75-38-40-76(179)41-39-75)117(195)153-79(35-28-46-144-137(142)143)114(192)156-83(51-96(140)180)111(189)145-55-100(184)167-102(65(5)6)133(211)173-108(71(14)20-4)136(214)175-48-29-36-94(175)128(206)164-88(59-215)112(190)146-53-98(182)150-80(42-43-101(185)186)115(193)159-86(57-177)121(199)163-92(63-219)126(204)169-103(66(7)8)131(209)158-82(49-74-31-22-21-23-32-74)119(197)172-107(70(13)19-3)135(213)174-47-30-37-95(174)129(207)165-93(64-220)127(205)171-106(69(12)18-2)134(212)161-85(56-176)120(198)149-72(15)109(187)148-73(16)110(188)170-105/h21-23,31-32,38-41,65-73,77-95,102-108,176-179,215-220H,17-20,24-30,33-37,42-64,138-139H2,1-16H3,(H2,140,180)(H2,141,181)(H,145,189)(H,146,190)(H,147,208)(H,148,187)(H,149,198)(H,150,182)(H,151,183)(H,152,196)(H,153,195)(H,154,202)(H,155,203)(H,156,192)(H,157,191)(H,158,209)(H,159,193)(H,160,201)(H,161,212)(H,162,200)(H,163,199)(H,164,206)(H,165,207)(H,166,210)(H,167,184)(H,168,194)(H,169,204)(H,170,188)(H,171,205)(H,172,197)(H,173,211)(H,185,186)(H4,142,143,144)/t68-,69-,70-,71-,72-,73-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,102-,103-,104-,105-,106-,107-,108-/m0/s1

InChIKey

ACOSAYIPSYRHMP-VCWFKLGKSA-N

Compound name

3-[(3S,6S,9S,12R,15S,18S,24R,27S,33S,36S,42S,45S,48S,51R,54S,57S,60S,63S,66R,69S,72R,78S,81S,84S,87S,90S,93R,96S)-57,63-bis(4-aminobutyl)-42,60-bis(2-amino-2-oxoethyl)-6-benzyl-3,33,78,90-tetrakis[(2S)-butan-2-yl]-45-(3-carbamimidamidopropyl)-15,69,87-tris(hydroxymethyl)-48-[(4-hydroxyphenyl)methyl]-81,84-dimethyl-2,5,8,11,14,17,20,23,26,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83,86,89,92,95-hentriacontaoxo-9,36,54-tri(propan-2-yl)-12,24,51,66,72,93-hexakis(sulfanylmethyl)-1,4,7,10,13,16,19,22,25,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82,85,88,91,94-hentriacontazatricyclo[94.3.0.027,31]nonanonacontan-18-yl]propanoic acid

Related CIDs

• CID 16131663