Ac-(s-carboxy-methyl)-cys-phe-ala-tyr-ile-ala-arg-pro-leu-pro-arg-ala-his-ile-lys-glu-tyr-phe-tyr-nh2

Structural Information

Molecular Formula

C₁₁₈H₁₆₉N₂₉O₂₇S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)N)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)[C@H](C)NC(=O)[C@H](CC8=CC=CC=C8)NC(=O)[C@H](CSCC(=O)O)NC(=O)C

InChI

InChI=1S/C118H169N29O27S/c1-11-65(5)96(144-108(166)88(58-75-38-44-79(151)45-39-75)138-100(158)68(8)130-105(163)85(55-71-25-15-13-16-26-71)142-110(168)91(132-70(10)148)61-175-62-95(154)155)113(171)131-69(9)99(157)136-83(31-22-50-127-118(123)124)115(173)146-51-23-33-93(146)112(170)143-90(53-64(3)4)116(174)147-52-24-32-92(147)111(169)134-81(30-21-49-126-117(121)122)102(160)129-67(7)101(159)139-89(59-76-60-125-63-128-76)109(167)145-97(66(6)12-2)114(172)135-80(29-19-20-48-119)103(161)133-82(46-47-94(152)153)104(162)140-87(57-74-36-42-78(150)43-37-74)107(165)141-86(56-72-27-17-14-18-28-72)106(164)137-84(98(120)156)54-73-34-40-77(149)41-35-73/h13-18,25-28,34-45,60,63-69,80-93,96-97,149-151H,11-12,19-24,29-33,46-59,61-62,119H2,1-10H3,(H2,120,156)(H,125,128)(H,129,160)(H,130,163)(H,131,171)(H,132,148)(H,133,161)(H,134,169)(H,135,172)(H,136,157)(H,137,164)(H,138,158)(H,139,159)(H,140,162)(H,141,165)(H,142,168)(H,143,170)(H,144,166)(H,145,167)(H,152,153)(H,154,155)(H4,121,122,126)(H4,123,124,127)/t65-,66-,67-,68-,69-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,96-,97-/m0/s1

InChIKey

WWOYAECBGCSJCD-BKESFUOVSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-(carboxymethylsulfanyl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130714