Nh2-ile-pro-ala-arg-leu-gly-his-met-phe-met-leu-arg-arg-val-gly-leu-cooh

Structural Information

Molecular Formula

C₈₄H₁₄₃N₂₇O₁₇S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)O)N

InChI

InChI=1S/C84H143N27O17S2/c1-14-49(10)66(85)80(126)111-33-21-27-63(111)78(124)99-50(11)68(114)102-53(24-18-30-93-82(86)87)71(117)107-58(36-45(2)3)69(115)96-42-64(112)100-61(40-52-41-92-44-98-52)77(123)106-57(29-35-130-13)73(119)109-60(39-51-22-16-15-17-23-51)76(122)105-56(28-34-129-12)72(118)108-59(37-46(4)5)75(121)104-54(25-19-31-94-83(88)89)70(116)103-55(26-20-32-95-84(90)91)74(120)110-67(48(8)9)79(125)97-43-65(113)101-62(81(127)128)38-47(6)7/h15-17,22-23,41,44-50,53-63,66-67H,14,18-21,24-40,42-43,85H2,1-13H3,(H,92,98)(H,96,115)(H,97,125)(H,99,124)(H,100,112)(H,101,113)(H,102,114)(H,103,116)(H,104,121)(H,105,122)(H,106,123)(H,107,117)(H,108,118)(H,109,119)(H,110,120)(H,127,128)(H4,86,87,93)(H4,88,89,94)(H4,90,91,95)/t49-,50-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,66-,67-/m0/s1

InChIKey

ANULNTGNCPUHLJ-CRYSOWGVSA-N

Compound name

(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3S)-2-amino-3-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16197774