L,d-atd-ikqlqaridlaverylkdqconh2

Structural Information

Molecular Formula

C₁₁₂H₁₉₇N₃₁O₂₇

SMILES

CCCCCCCCCCCC[C@H](C(=O)N[C@@H]([C@@H](C)CC)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)N)N

InChI

InChI=1S/C112H197N31O27/c1-16-19-20-21-22-23-24-25-26-27-34-70(115)95(155)142-90(64(12)17-2)109(169)134-73(36-29-31-52-114)97(157)132-77(45-49-86(118)147)101(161)136-80(56-61(6)7)105(165)133-76(44-48-85(117)146)96(156)126-66(14)93(153)129-75(38-33-54-125-112(122)123)102(162)143-91(65(13)18-3)110(170)140-79(55-60(4)5)103(163)127-67(15)94(154)141-89(63(10)11)108(168)135-78(46-50-87(148)149)100(160)130-74(37-32-53-124-111(120)121)99(159)138-82(58-68-39-41-69(144)42-40-68)106(166)137-81(57-62(8)9)104(164)131-72(35-28-30-51-113)98(158)139-83(59-88(150)151)107(167)128-71(92(119)152)43-47-84(116)145/h39-42,60-67,70-83,89-91,144H,16-38,43-59,113-115H2,1-15H3,(H2,116,145)(H2,117,146)(H2,118,147)(H2,119,152)(H,126,156)(H,127,163)(H,128,167)(H,129,153)(H,130,160)(H,131,164)(H,132,157)(H,133,165)(H,134,169)(H,135,168)(H,136,161)(H,137,166)(H,138,159)(H,139,158)(H,140,170)(H,141,154)(H,142,155)(H,143,162)(H,148,149)(H,150,151)(H4,120,121,124)(H4,122,123,125)/t64-,65-,66-,67-,70+,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,89-,90-,91-/m0/s1

InChIKey

YIHQMMUQHUECSB-NXSRKEJLSA-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-[[(2R)-2-aminotetradecanoyl]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)-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 16197400