Ewvrlgrellrrlkepfe

Structural Information

Molecular Formula

C₁₀₆H₁₇₂N₃₂O₂₇

SMILES

CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C106H172N32O27/c1-55(2)47-73(132-92(154)69(31-21-45-120-106(115)116)128-100(162)85(59(9)10)137-98(160)78(131-86(148)63(108)33-37-81(140)141)52-61-53-121-64-26-15-14-25-62(61)64)87(149)122-54-80(139)123-65(28-18-42-117-103(109)110)88(150)127-70(34-38-82(142)143)93(155)134-76(50-58(7)8)96(158)135-75(49-57(5)6)95(157)126-67(29-19-43-118-104(111)112)89(151)124-68(30-20-44-119-105(113)114)91(153)133-74(48-56(3)4)94(156)125-66(27-16-17-41-107)90(152)129-71(35-39-83(144)145)101(163)138-46-22-32-79(138)99(161)136-77(51-60-23-12-11-13-24-60)97(159)130-72(102(164)165)36-40-84(146)147/h11-15,23-26,53,55-59,63,65-79,85,121H,16-22,27-52,54,107-108H2,1-10H3,(H,122,149)(H,123,139)(H,124,151)(H,125,156)(H,126,157)(H,127,150)(H,128,162)(H,129,152)(H,130,159)(H,131,148)(H,132,154)(H,133,153)(H,134,155)(H,135,158)(H,136,161)(H,137,160)(H,140,141)(H,142,143)(H,144,145)(H,146,147)(H,164,165)(H4,109,110,117)(H4,111,112,118)(H4,113,114,119)(H4,115,116,120)/t63-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,85-/m0/s1

InChIKey

UTEOGLLXRZDDSJ-RJIDROSMSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]pentanedioic acid

Related CIDs

• CID 71596888