Decatyrosine, n'-,o'-undecasulfate

Structural Information

Molecular Formula

C₉₀H₉₂N₁₀O₅₄S₁₁

SMILES

C1=CC(=CC=C1C[C@@H](C(=O)N[C@@H](CC2=CC=C(C=C2)OS(=O)(=O)O)C(=O)N[C@@H](CC3=CC=C(C=C3)OS(=O)(=O)O)C(=O)N[C@@H](CC4=CC=C(C=C4)OS(=O)(=O)O)C(=O)O)NC(=O)[C@H](CC5=CC=C(C=C5)OS(=O)(=O)O)NC(=O)[C@H](CC6=CC=C(C=C6)OS(=O)(=O)O)NC(=O)[C@H](CC7=CC=C(C=C7)OS(=O)(=O)O)NC(=O)[C@H](CC8=CC=C(C=C8)OS(=O)(=O)O)NC(=O)[C@H](CC9=CC=C(C=C9)OS(=O)(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)OS(=O)(=O)O)NS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C90H92N10O54S11/c101-81(91-72(42-52-3-23-62(24-4-52)146-157(118,119)120)82(102)93-74(44-54-7-27-64(28-8-54)148-159(124,125)126)84(104)95-76(46-56-11-31-66(32-12-56)150-161(130,131)132)86(106)97-78(48-58-15-35-68(36-16-58)152-163(136,137)138)88(108)99-80(90(110)111)50-60-19-39-70(40-20-60)154-165(142,143)144)71(41-51-1-21-61(22-2-51)145-156(115,116)117)92-83(103)73(43-53-5-25-63(26-6-53)147-158(121,122)123)94-85(105)75(45-55-9-29-65(30-10-55)149-160(127,128)129)96-87(107)77(47-57-13-33-67(34-14-57)151-162(133,134)135)98-89(109)79(100-155(112,113)114)49-59-17-37-69(38-18-59)153-164(139,140)141/h1-40,71-80,100H,41-50H2,(H,91,101)(H,92,103)(H,93,102)(H,94,105)(H,95,104)(H,96,107)(H,97,106)(H,98,109)(H,99,108)(H,110,111)(H,112,113,114)(H,115,116,117)(H,118,119,120)(H,121,122,123)(H,124,125,126)(H,127,128,129)(H,130,131,132)(H,133,134,135)(H,136,137,138)(H,139,140,141)(H,142,143,144)/t71-,72-,73-,74-,75-,76-,77-,78-,79-,80-/m0/s1

InChIKey

ILPNDACFZLJSFM-QQXPTQROSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-(sulfoamino)-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoic acid

Related CIDs

• CID 16130557