Ikqlqarilaverylkdqconh2

Structural Information

Molecular Formula

C₉₉H₁₇₁N₂₉O₂₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)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)C)N

InChI

InChI=1S/C99H171N29O26/c1-16-53(11)78(105)95(152)120-62(25-19-21-41-101)84(141)118-66(34-38-75(104)133)88(145)122-69(45-50(5)6)92(149)119-65(33-37-74(103)132)83(140)112-55(13)81(138)115-64(27-23-43-111-99(108)109)89(146)128-80(54(12)17-2)97(154)126-68(44-49(3)4)90(147)113-56(14)82(139)127-79(52(9)10)96(153)121-67(35-39-76(134)135)87(144)116-63(26-22-42-110-98(106)107)86(143)124-71(47-58-28-30-59(130)31-29-58)93(150)123-70(46-51(7)8)91(148)117-61(24-18-20-40-100)85(142)125-72(48-77(136)137)94(151)114-60(57(15)129)32-36-73(102)131/h28-31,49-56,60-72,78-80,130H,16-27,32-48,100-101,105H2,1-15H3,(H2,102,131)(H2,103,132)(H2,104,133)(H,112,140)(H,113,147)(H,114,151)(H,115,138)(H,116,144)(H,117,148)(H,118,141)(H,119,149)(H,120,152)(H,121,153)(H,122,145)(H,123,150)(H,124,143)(H,125,142)(H,126,154)(H,127,139)(H,128,146)(H,134,135)(H,136,137)(H4,106,107,110)(H4,108,109,111)/t53-,54-,55-,56-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,78-,79-,80-/m0/s1

InChIKey

AHCJICRAOSAXRU-OPIFTKBKSA-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)-2-amino-3-methylpentanoyl]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)-1-[[(3S)-6-amino-2,6-dioxohexan-3-yl]amino]-3-carboxy-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 16197384