Rqllsgidqeqnnltrlieaqihelqk

Structural Information

Molecular Formula

C₁₃₆H₂₃₁N₄₃O₄₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)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]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)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]([C@@H](C)CC)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)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/C136H231N43O45/c1-19-66(14)105(176-100(189)58-153-111(200)92(59-180)175-123(212)85(50-63(8)9)169-122(211)84(49-62(6)7)167-117(206)74(29-37-93(139)182)157-110(199)72(138)26-24-46-151-135(146)147)130(219)174-91(56-104(196)197)127(216)161-75(30-38-94(140)183)114(203)159-80(35-43-102(192)193)115(204)158-77(32-40-96(142)185)118(207)171-89(54-98(144)187)126(215)172-90(55-99(145)188)125(214)170-87(52-65(12)13)129(218)179-108(70(18)181)133(222)163-73(28-25-47-152-136(148)149)113(202)168-86(51-64(10)11)128(217)178-106(67(15)20-2)131(220)164-79(34-42-101(190)191)112(201)155-69(17)109(198)156-78(33-41-97(143)186)120(209)177-107(68(16)21-3)132(221)173-88(53-71-57-150-60-154-71)124(213)162-81(36-44-103(194)195)119(208)166-83(48-61(4)5)121(210)160-76(31-39-95(141)184)116(205)165-82(134(223)224)27-22-23-45-137/h57,60-70,72-92,105-108,180-181H,19-56,58-59,137-138H2,1-18H3,(H2,139,182)(H2,140,183)(H2,141,184)(H2,142,185)(H2,143,186)(H2,144,187)(H2,145,188)(H,150,154)(H,153,200)(H,155,201)(H,156,198)(H,157,199)(H,158,204)(H,159,203)(H,160,210)(H,161,216)(H,162,213)(H,163,222)(H,164,220)(H,165,205)(H,166,208)(H,167,206)(H,168,202)(H,169,211)(H,170,214)(H,171,207)(H,172,215)(H,173,221)(H,174,219)(H,175,212)(H,176,189)(H,177,209)(H,178,217)(H,179,218)(H,190,191)(H,192,193)(H,194,195)(H,196,197)(H,223,224)(H4,146,147,151)(H4,148,149,152)/t66-,67-,68-,69-,70+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,105-,106-,107-,108-/m0/s1

InChIKey

DFWFCMUMMFJQTB-OYFAFLBASA-N

Compound name

(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-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-carboxypropanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid

Related CIDs

• CID 86575211