Nh2-phe-phe-ile-ile-leu-leu-thr-ile-asp-arg-tyr-leu-ala-val-val-cooh

Structural Information

Molecular Formula

C₉₀H₁₄₂N₁₈O₂₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C90H142N18O20/c1-19-51(14)71(106-87(125)73(53(16)21-3)105-83(121)66(43-57-31-26-23-27-32-57)97-76(114)60(91)42-56-29-24-22-25-30-56)85(123)101-63(40-47(6)7)79(117)99-64(41-48(8)9)82(120)108-74(55(18)109)88(126)107-72(52(15)20-2)86(124)102-67(45-68(111)112)81(119)96-61(33-28-38-94-90(92)93)77(115)100-65(44-58-34-36-59(110)37-35-58)80(118)98-62(39-46(4)5)78(116)95-54(17)75(113)103-69(49(10)11)84(122)104-70(50(12)13)89(127)128/h22-27,29-32,34-37,46-55,60-67,69-74,109-110H,19-21,28,33,38-45,91H2,1-18H3,(H,95,116)(H,96,119)(H,97,114)(H,98,118)(H,99,117)(H,100,115)(H,101,123)(H,102,124)(H,103,113)(H,104,122)(H,105,121)(H,106,125)(H,107,126)(H,108,120)(H,111,112)(H,127,128)(H4,92,93,94)/t51-,52-,53-,54-,55+,60-,61-,62-,63-,64-,65-,66-,67-,69-,70-,71-,72-,73-,74-/m0/s1

InChIKey

DXDDYYVWXASMOF-SMNHBHEFSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 16728443