Glprkilaaiakkkgkckgplklvakc

Structural Information

Molecular Formula

C₁₂₉H₂₃₆N₃₈O₂₈S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H](NC1=O)CCCCN)CC(C)C)CCCCN)CC(C)C)C(C)C)C)CCCCN)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](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

InChI

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

JTNLFTHIJHPNFI-QKSXZUPSSA-N

Compound name

(6S,9R,14R,17S,20S,23S,26S,29S,32S,35S)-9-[[(2S)-6-amino-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(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]propanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]hexanoyl]amino]-6,17,29-tris(4-aminobutyl)-20-methyl-26,32-bis(2-methylpropyl)-2,5,8,16,19,22,25,28,31,34-decaoxo-23-propan-2-yl-11,12-dithia-1,4,7,15,18,21,24,27,30,33-decazabicyclo[33.3.0]octatriacontane-14-carboxylic acid

Related CIDs

• CID 71597444