(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-[[2-[[(2s)-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-2-[[(2s)-5-amino-2-[[(2s)-2-[[(2s)-2-[[(2s,3r)-1,3-dihydroxyoctadecan-2-yl]carbamoylamino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1h-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid

Structural Information

Molecular Formula

C₁₁₃H₁₉₈N₂₆O₂₅

SMILES

CCCCCCCCCCCCCCC[C@H]([C@H](CO)NC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC(=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)O)O

InChI

InChI=1S/C113H198N26O25/c1-20-23-24-25-26-27-28-29-30-31-32-33-34-44-87(142)86(61-140)135-113(164)134-83(56-65(10)11)105(156)131-81(54-63(6)7)104(155)127-79(47-50-90(117)145)101(152)130-82(55-64(8)9)106(157)139-95(71(19)141)110(161)137-92(67(14)15)107(158)132-84(58-72-59-121-74-41-36-35-40-73(72)74)97(148)122-60-91(146)136-93(68(16)21-2)108(159)128-75(42-37-38-51-114)99(150)125-78(46-49-89(116)144)100(151)129-80(53-62(4)5)103(154)126-77(45-48-88(115)143)98(149)123-70(18)96(147)124-76(43-39-52-120-112(118)119)102(153)138-94(69(17)22-3)109(160)133-85(111(162)163)57-66(12)13/h35-36,40-41,59,62-71,75-87,92-95,121,140-142H,20-34,37-39,42-58,60-61,114H2,1-19H3,(H2,115,143)(H2,116,144)(H2,117,145)(H,122,148)(H,123,149)(H,124,147)(H,125,150)(H,126,154)(H,127,155)(H,128,159)(H,129,151)(H,130,152)(H,131,156)(H,132,158)(H,133,160)(H,136,146)(H,137,161)(H,138,153)(H,139,157)(H,162,163)(H4,118,119,120)(H2,134,135,164)/t68-,69-,70-,71+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87+,92-,93-,94-,95-/m0/s1

InChIKey

FAKMOQCHYUYNQP-DGXHFHEYSA-N

Compound name

(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-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]carbamoylamino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 71597061