Ile-glu-ala-gln-gln-his-leu-leu-gln-leu-thr-val-trp-gly-ile-lys-gln-leu-gln-ala-arg-ile-leu-nh2

Structural Information

Molecular Formula

C₁₂₄H₂₀₈N₃₆O₃₁

SMILES

CC[C@H](C)[C@@H](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)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](CC2=CNC3=CC=CC=C32)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)N)N

InChI

InChI=1S/C124H208N36O31/c1-22-65(16)97(131)119(187)148-82(39-45-96(168)169)107(175)141-69(20)104(172)143-78(35-41-91(127)163)109(177)145-80(37-43-93(129)165)112(180)155-89(54-72-56-135-58-139-72)117(185)154-86(51-62(10)11)116(184)153-85(50-61(8)9)115(183)147-81(38-44-94(130)166)111(179)152-87(52-63(12)13)118(186)160-101(70(21)161)123(191)158-98(64(14)15)120(188)156-88(53-71-55-137-74-31-26-25-30-73(71)74)105(173)138-57-95(167)157-99(66(17)23-2)121(189)149-75(32-27-28-46-125)108(176)144-79(36-42-92(128)164)110(178)151-84(49-60(6)7)114(182)146-77(34-40-90(126)162)106(174)140-68(19)103(171)142-76(33-29-47-136-124(133)134)113(181)159-100(67(18)24-3)122(190)150-83(102(132)170)48-59(4)5/h25-26,30-31,55-56,58-70,75-89,97-101,137,161H,22-24,27-29,32-54,57,125,131H2,1-21H3,(H2,126,162)(H2,127,163)(H2,128,164)(H2,129,165)(H2,130,166)(H2,132,170)(H,135,139)(H,138,173)(H,140,174)(H,141,175)(H,142,171)(H,143,172)(H,144,176)(H,145,177)(H,146,182)(H,147,183)(H,148,187)(H,149,189)(H,150,190)(H,151,178)(H,152,179)(H,153,184)(H,154,185)(H,155,180)(H,156,188)(H,157,167)(H,158,191)(H,159,181)(H,160,186)(H,168,169)(H4,133,134,136)/t65-,66-,67-,68-,69-,70+,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,97-,98-,99-,100-,101-/m0/s1

InChIKey

MXZNADJWDCBBAN-MGPXPWGYSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]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-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130757