(16-hexadecanoic acid)-rqllsgivqqqnnllraieaqqh

Structural Information

Molecular Formula

C₁₂₉H₂₂₃N₃₉O₃₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)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](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NCCCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C129H223N39O37/c1-17-70(13)104(166-100(178)62-146-108(185)91(63-169)165-121(198)87(57-68(9)10)160-119(196)85(55-66(5)6)158-115(192)79(39-46-94(132)172)152-109(186)75(34-32-52-144-128(138)139)143-51-31-29-27-25-23-21-19-20-22-24-26-28-30-36-101(179)180)126(203)167-103(69(11)12)124(201)156-82(42-49-97(135)175)114(191)153-78(38-45-93(131)171)113(190)154-80(40-47-95(133)173)116(193)162-88(59-98(136)176)123(200)163-89(60-99(137)177)122(199)161-86(56-67(7)8)120(197)159-84(54-65(3)4)118(195)151-76(35-33-53-145-129(140)141)110(187)149-73(16)107(184)168-105(71(14)18-2)125(202)157-83(43-50-102(181)182)111(188)148-72(15)106(183)150-77(37-44-92(130)170)112(189)155-81(41-48-96(134)174)117(194)164-90(127(204)205)58-74-61-142-64-147-74/h61,64-73,75-91,103-105,143,169H,17-60,62-63H2,1-16H3,(H2,130,170)(H2,131,171)(H2,132,172)(H2,133,173)(H2,134,174)(H2,135,175)(H2,136,176)(H2,137,177)(H,142,147)(H,146,185)(H,148,188)(H,149,187)(H,150,183)(H,151,195)(H,152,186)(H,153,191)(H,154,190)(H,155,189)(H,156,201)(H,157,202)(H,158,192)(H,159,197)(H,160,196)(H,161,199)(H,162,193)(H,163,200)(H,164,194)(H,165,198)(H,166,178)(H,167,203)(H,168,184)(H,179,180)(H,181,182)(H,204,205)(H4,138,139,144)(H4,140,141,145)/t70-,71-,72-,73-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,103-,104-,105-/m0/s1

InChIKey

HRKBIRNANCWNGD-XRHHVKRMSA-N

Compound name

16-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]hexadecanoic acid

Related CIDs

• CID 86575204