(16-hexadecanoic acid)-rqllsgivqqqnnllraieaqqhll

Structural Information

Molecular Formula

C₁₄₁H₂₄₅N₄₁O₃₉

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)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)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/C141H245N41O39/c1-21-78(17)114(180-110(192)68-158-118(199)101(69-183)179-132(213)96(62-75(11)12)172-129(210)93(59-72(5)6)170-125(206)87(43-50-104(144)186)164-119(200)83(38-36-56-156-140(150)151)155-55-35-33-31-29-27-25-23-24-26-28-30-32-34-40-111(193)194)138(219)181-113(77(15)16)136(217)168-90(46-53-107(147)189)124(205)165-86(42-49-103(143)185)123(204)167-89(45-52-106(146)188)127(208)176-98(65-108(148)190)135(216)177-99(66-109(149)191)134(215)174-94(60-73(7)8)130(211)171-92(58-71(3)4)128(209)163-84(39-37-57-157-141(152)153)120(201)161-81(20)117(198)182-115(79(18)22-2)137(218)169-91(47-54-112(195)196)121(202)160-80(19)116(197)162-85(41-48-102(142)184)122(203)166-88(44-51-105(145)187)126(207)175-97(64-82-67-154-70-159-82)133(214)173-95(61-74(9)10)131(212)178-100(139(220)221)63-76(13)14/h67,70-81,83-101,113-115,155,183H,21-66,68-69H2,1-20H3,(H2,142,184)(H2,143,185)(H2,144,186)(H2,145,187)(H2,146,188)(H2,147,189)(H2,148,190)(H2,149,191)(H,154,159)(H,158,199)(H,160,202)(H,161,201)(H,162,197)(H,163,209)(H,164,200)(H,165,205)(H,166,203)(H,167,204)(H,168,217)(H,169,218)(H,170,206)(H,171,211)(H,172,210)(H,173,214)(H,174,215)(H,175,207)(H,176,208)(H,177,216)(H,178,212)(H,179,213)(H,180,192)(H,181,219)(H,182,198)(H,193,194)(H,195,196)(H,220,221)(H4,150,151,156)(H4,152,153,157)/t78-,79-,80-,81-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,113-,114-,115-/m0/s1

InChIKey

LHKRUQJPLOAIJK-JCPCTENSSA-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-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-3-methylbutyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]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 86575202