Eapl

Structural Information

Molecular Formula

C₁₁₄H₁₇₁N₃₁O₃₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)N

InChI

InChI=1S/C114H171N31O33/c1-11-58(7)90(143-97(162)70(38-42-88(154)155)130-104(169)79(52-85(118)151)133-93(158)60(9)115)110(175)140-78(51-65-32-34-66(148)35-33-65)102(167)136-77(50-64-28-20-15-21-29-64)103(168)142-82(55-146)108(173)137-75(48-62-24-16-13-17-25-62)100(165)129-68(36-40-83(116)149)95(160)127-67(30-22-44-125-113(121)122)94(159)135-76(49-63-26-18-14-19-27-63)101(166)138-80(53-86(119)152)105(170)131-71(39-43-89(156)157)98(163)145-92(61(10)147)111(176)141-81(54-87(120)153)106(171)134-74(47-57(5)6)107(172)144-91(59(8)12-2)109(174)139-73(46-56(3)4)99(164)128-69(37-41-84(117)150)96(161)132-72(112(177)178)31-23-45-126-114(123)124/h13-21,24-29,32-35,56-61,67-82,90-92,146-148H,11-12,22-23,30-31,36-55,115H2,1-10H3,(H2,116,149)(H2,117,150)(H2,118,151)(H2,119,152)(H2,120,153)(H,127,160)(H,128,164)(H,129,165)(H,130,169)(H,131,170)(H,132,161)(H,133,158)(H,134,171)(H,135,159)(H,136,167)(H,137,173)(H,138,166)(H,139,174)(H,140,175)(H,141,176)(H,142,168)(H,143,162)(H,144,172)(H,145,163)(H,154,155)(H,156,157)(H,177,178)(H4,121,122,125)(H4,123,124,126)/t58-,59-,60-,61+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,90-,91-,92-/m0/s1

InChIKey

PAGGRBGJJBTXFJ-IWFDUIHDSA-N

Compound name

(4S)-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(1S)-4-carbamimidamido-1-carboxybutyl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 49776433