Hediislwdqslkpcvkltp

Structural Information

Molecular Formula

C₁₁₁H₁₇₉N₂₇O₃₂S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CN=CN5)N

InChI

InChI=1S/C111H179N27O32S/c1-16-59(13)88(135-108(166)89(60(14)17-2)134-100(158)76(47-86(147)148)127-93(151)69(33-35-84(143)144)119-91(149)65(114)45-63-49-116-53-118-63)107(165)131-79(51-140)102(160)125-72(41-55(5)6)96(154)126-74(44-62-48-117-66-27-19-18-26-64(62)66)97(155)128-75(46-85(145)146)98(156)120-68(32-34-83(115)142)94(152)130-78(50-139)101(159)124-71(40-54(3)4)95(153)122-70(29-21-23-37-113)109(167)137-38-24-30-81(137)105(163)132-80(52-171)103(161)133-87(58(11)12)106(164)121-67(28-20-22-36-112)92(150)123-73(42-56(7)8)99(157)136-90(61(15)141)110(168)138-39-25-31-82(138)104(162)129-77(111(169)170)43-57(9)10/h18-19,26-27,48-49,53-61,65,67-82,87-90,117,139-141,171H,16-17,20-25,28-47,50-52,112-114H2,1-15H3,(H2,115,142)(H,116,118)(H,119,149)(H,120,156)(H,121,164)(H,122,153)(H,123,150)(H,124,159)(H,125,160)(H,126,154)(H,127,151)(H,128,155)(H,129,162)(H,130,152)(H,131,165)(H,132,163)(H,133,161)(H,134,158)(H,135,166)(H,136,157)(H,143,144)(H,145,146)(H,147,148)(H,169,170)/t59-,60-,61+,65-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,87-,88-,89-,90-/m0/s1

InChIKey

TULQRPPTPMRXPB-USIKENEVSA-N

Compound name

(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16133916