16-[[(2s)-1-[[2-[[2-[[(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-[[(2s)-1-[[(1s)-4-amino-1-carboxy-4-oxobutyl]amino]-4-methyl-1-oxopentan-2-yl]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]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]hexadecanoic acid

Structural Information

Molecular Formula

C₁₃₉H₂₄₀N₄₂O₄₀

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

InChI

InChI=1S/C139H240N42O40/c1-19-76(15)113(179-109(193)67-158-118(201)98(68-182)178-126(209)90(56-70(3)4)162-108(192)66-156-107(191)65-157-117(200)81(36-34-54-154-138(148)149)153-53-33-31-29-27-25-23-21-22-24-26-28-30-32-38-110(194)195)136(219)180-112(75(13)14)134(217)168-87(43-50-103(144)187)123(206)165-84(40-47-100(141)184)122(205)167-86(42-49-102(143)186)125(208)176-96(62-105(146)189)133(216)177-97(63-106(147)190)132(215)174-94(60-74(11)12)130(213)171-91(57-71(5)6)127(210)164-82(37-35-55-155-139(150)151)119(202)161-79(18)116(199)181-114(77(16)20-2)135(218)169-88(45-52-111(196)197)120(203)160-78(17)115(198)163-83(39-46-99(140)183)121(204)166-85(41-48-101(142)185)124(207)175-95(61-80-64-152-69-159-80)131(214)173-93(59-73(9)10)129(212)172-92(58-72(7)8)128(211)170-89(137(220)221)44-51-104(145)188/h64,69-79,81-98,112-114,153,182H,19-63,65-68H2,1-18H3,(H2,140,183)(H2,141,184)(H2,142,185)(H2,143,186)(H2,144,187)(H2,145,188)(H2,146,189)(H2,147,190)(H,152,159)(H,156,191)(H,157,200)(H,158,201)(H,160,203)(H,161,202)(H,162,192)(H,163,198)(H,164,210)(H,165,206)(H,166,204)(H,167,205)(H,168,217)(H,169,218)(H,170,211)(H,171,213)(H,172,212)(H,173,214)(H,174,215)(H,175,207)(H,176,208)(H,177,216)(H,178,209)(H,179,193)(H,180,219)(H,181,199)(H,194,195)(H,196,197)(H,220,221)(H4,148,149,154)(H4,150,151,155)/t76-,77-,78-,79-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,112-,113-,114-/m0/s1

InChIKey

UAGRTKWRIDXBDM-ULNUFIPXSA-N

Compound name

16-[[(2S)-1-[[2-[[2-[[(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-[[(2S)-1-[[(1S)-4-amino-1-carboxy-4-oxobutyl]amino]-4-methyl-1-oxopentan-2-yl]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]-2-oxoethyl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]hexadecanoic acid

Related CIDs

• CID 86575208