(4s)-4-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-4-amino-2-[[(2s)-4-amino-2-[[(2s)-5-amino-2-[[(2s)-5-amino-2-[[(2s)-5-amino-2-[[(2s)-2-[[(2s,3s)-2-[[2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-5-amino-2-[[(2s)-5-carbamimidamido-2-(hexadecylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-5-[[(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]-5-oxopentanoic acid

Structural Information

Molecular Formula

C₁₂₉H₂₂₅N₃₉O₃₅

SMILES

CCCCCCCCCCCCCCCCN[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)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

InChI

InChI=1S/C129H225N39O35/c1-18-21-22-23-24-25-26-27-28-29-30-31-32-33-52-143-76(36-34-53-144-128(138)139)109(184)152-80(40-47-95(132)172)115(190)158-86(56-67(6)7)119(194)160-88(58-69(10)11)121(196)165-92(64-169)108(183)146-63-101(178)166-104(71(14)19-2)126(201)167-103(70(12)13)124(199)156-83(43-50-98(135)175)114(189)153-79(39-46-94(131)171)113(188)154-81(41-48-96(133)173)116(191)162-89(60-99(136)176)123(198)163-90(61-100(137)177)122(197)161-87(57-68(8)9)120(195)159-85(55-66(4)5)118(193)151-77(37-35-54-145-129(140)141)110(185)149-74(17)107(182)168-105(72(15)20-3)125(200)157-84(44-51-102(179)180)111(186)148-73(16)106(181)150-78(38-45-93(130)170)112(187)155-82(42-49-97(134)174)117(192)164-91(127(202)203)59-75-62-142-65-147-75/h62,65-74,76-92,103-105,143,169H,18-61,63-64H2,1-17H3,(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,146,183)(H,148,186)(H,149,185)(H,150,181)(H,151,193)(H,152,184)(H,153,189)(H,154,188)(H,155,187)(H,156,199)(H,157,200)(H,158,190)(H,159,195)(H,160,194)(H,161,197)(H,162,191)(H,163,198)(H,164,192)(H,165,196)(H,166,178)(H,167,201)(H,168,182)(H,179,180)(H,202,203)(H4,138,139,144)(H4,140,141,145)/t71-,72-,73-,74-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,103-,104-,105-/m0/s1

InChIKey

XXIOKRXNECISOP-FSLSYCCOSA-N

Compound name

(4S)-4-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-carbamimidamido-2-(hexadecylamino)pentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-5-[[(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]-5-oxopentanoic acid

Related CIDs

• CID 71591497