Kiikqlqarilaverylkdqconh2

Structural Information

Molecular Formula

C₁₁₀H₁₈₅N₃₁O₂₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)C2(C[C@]3(C[C@](C2)(C(=O)NC3=O)C)C)C

InChI

InChI=1S/C110H185N31O29/c1-18-58(11)83(139-94(159)68(29-25-45-122-107(119)120)126-86(151)60(13)123-88(153)69(35-39-78(114)144)130-97(162)73(47-55(5)6)133-93(158)70(36-40-79(115)145)129-89(154)66(27-21-23-43-112)131-102(167)84(59(12)19-2)140-103(168)108(15)51-109(16)53-110(17,52-108)105(170)141-104(109)169)101(166)137-72(46-54(3)4)95(160)124-61(14)87(152)138-82(57(9)10)100(165)132-71(37-41-80(146)147)92(157)127-67(28-24-44-121-106(117)118)91(156)135-75(49-62-30-32-63(142)33-31-62)98(163)134-74(48-56(7)8)96(161)128-65(26-20-22-42-111)90(155)136-76(50-81(148)149)99(164)125-64(85(116)150)34-38-77(113)143/h30-33,54-61,64-76,82-84,142H,18-29,34-53,111-112H2,1-17H3,(H2,113,143)(H2,114,144)(H2,115,145)(H2,116,150)(H,123,153)(H,124,160)(H,125,164)(H,126,151)(H,127,157)(H,128,161)(H,129,154)(H,130,162)(H,131,167)(H,132,165)(H,133,158)(H,134,163)(H,135,156)(H,136,155)(H,137,166)(H,138,152)(H,139,159)(H,140,168)(H,146,147)(H,148,149)(H4,117,118,121)(H4,119,120,122)(H,141,169,170)/t58-,59-,60-,61-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,82-,83-,84-,109-,110-/m0/s1

InChIKey

CEBYHAAVNKYQKM-CSFICXOUSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-3-methyl-2-[[(1S,5S)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carbonyl]amino]pentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-3-carboxy-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197409