Rqllsgivqqqnnllraieaqqh

Structural Information

Molecular Formula

C₁₁₃H₁₉₃N₃₉O₃₅

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)N

InChI

InChI=1S/C113H193N39O35/c1-17-55(13)88(150-85(162)47-130-93(168)76(48-153)149-105(180)72(42-53(9)10)144-103(178)70(40-51(5)6)142-99(174)63(24-31-78(116)155)135-92(167)60(114)21-19-37-128-112(123)124)110(185)151-87(54(11)12)108(183)140-67(28-35-82(120)159)98(173)137-64(25-32-79(117)156)97(172)138-65(26-33-80(118)157)100(175)146-73(44-83(121)160)107(182)147-74(45-84(122)161)106(181)145-71(41-52(7)8)104(179)143-69(39-50(3)4)102(177)136-61(22-20-38-129-113(125)126)94(169)133-58(16)91(166)152-89(56(14)18-2)109(184)141-68(29-36-86(163)164)95(170)132-57(15)90(165)134-62(23-30-77(115)154)96(171)139-66(27-34-81(119)158)101(176)148-75(111(186)187)43-59-46-127-49-131-59/h46,49-58,60-76,87-89,153H,17-45,47-48,114H2,1-16H3,(H2,115,154)(H2,116,155)(H2,117,156)(H2,118,157)(H2,119,158)(H2,120,159)(H2,121,160)(H2,122,161)(H,127,131)(H,130,168)(H,132,170)(H,133,169)(H,134,165)(H,135,167)(H,136,177)(H,137,173)(H,138,172)(H,139,171)(H,140,183)(H,141,184)(H,142,174)(H,143,179)(H,144,178)(H,145,181)(H,146,175)(H,147,182)(H,148,176)(H,149,180)(H,150,162)(H,151,185)(H,152,166)(H,163,164)(H,186,187)(H4,123,124,128)(H4,125,126,129)/t55-,56-,57-,58-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,87-,88-,89-/m0/s1

InChIKey

RFNOVNPDPRBWSR-OMYKSGDMSA-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)-2-amino-5-carbamimidamidopentanoyl]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 86575203