Glprkilcaiakkkgkakgplklvcka

Structural Information

Molecular Formula

C₁₂₉H₂₃₆N₃₈O₂₈S₂

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)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(C)C)NC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)C(C)C)CC(C)C)CCCCN)CC(C)C)CCCCN)C)CCCCN)CCCCN)CCCCN)CCCCN)C

InChI

InChI=1S/C129H236N38O28S2/c1-19-76(13)103-125(191)146-79(16)106(172)151-86(44-25-33-55-134)112(178)153-87(45-26-34-56-135)113(179)152-83(41-22-30-52-131)108(174)142-67-100(169)148-84(42-23-31-53-132)110(176)144-78(15)105(171)150-82(40-21-29-51-130)109(175)143-68-101(170)166-60-38-49-97(166)122(188)159-91(62-71(3)4)117(183)155-88(46-27-35-57-136)115(181)158-93(64-73(7)8)119(185)163-102(75(11)12)124(190)162-96(121(187)156-85(43-24-32-54-133)111(177)147-81(18)128(194)195)70-197-196-69-95(120(186)145-80(17)107(173)164-103)161-118(184)92(63-72(5)6)160-126(192)104(77(14)20-2)165-116(182)89(47-28-36-58-137)154-114(180)90(48-37-59-141-129(139)140)157-123(189)98-50-39-61-167(98)127(193)94(65-74(9)10)149-99(168)66-138/h71-98,102-104H,19-70,130-138H2,1-18H3,(H,142,174)(H,143,175)(H,144,176)(H,145,186)(H,146,191)(H,147,177)(H,148,169)(H,149,168)(H,150,171)(H,151,172)(H,152,179)(H,153,178)(H,154,180)(H,155,183)(H,156,187)(H,157,189)(H,158,181)(H,159,188)(H,160,192)(H,161,184)(H,162,190)(H,163,185)(H,164,173)(H,165,182)(H,194,195)(H4,139,140,141)/t76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,102-,103-,104-/m0/s1

InChIKey

WLDVCIQVKNTLGU-QKSXZUPSSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(6S,9S,12S,18S,21S,24S,27S,30S,33S,36R,41R,44S,47S,50S,53S,56S)-36-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-6,12,18,21,24,50-hexakis(4-aminobutyl)-30-[(2S)-butan-2-yl]-9,27,33-trimethyl-47,53-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,43,46,49,52,55-heptadecaoxo-44-propan-2-yl-38,39-dithia-1,4,7,10,13,16,19,22,25,28,31,34,42,45,48,51,54-heptadecazabicyclo[54.3.0]nonapentacontane-41-carbonyl]amino]hexanoyl]amino]propanoic acid

Related CIDs

• CID 71598191