Nonatyrosine, n'-,o'-nonasulfate

Structural Information

Molecular Formula

C₈₁H₈₃N₉O₄₆S₉

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)N[C@@H](CC5=CC=C(C=C5)OS(=O)(=O)O)C(=O)N[C@@H](CC6=CC=C(C=C6)OS(=O)(=O)O)C(=O)N[C@@H](CC7=CC=C(C=C7)OS(=O)(=O)O)C(=O)N[C@@H](CC8=CC=C(C=C8)OS(=O)(=O)O)C(=O)N[C@@H](CC9=CC=C(C=C9)OS(=O)(=O)O)C(=O)O)N)OS(=O)(=O)O

InChI

InChI=1S/C81H83N9O46S9/c82-64(37-46-1-19-55(20-2-46)128-137(101,102)103)73(91)83-65(38-47-3-21-56(22-4-47)129-138(104,105)106)74(92)84-66(39-48-5-23-57(24-6-48)130-139(107,108)109)75(93)85-67(40-49-7-25-58(26-8-49)131-140(110,111)112)76(94)86-68(41-50-9-27-59(28-10-50)132-141(113,114)115)77(95)87-69(42-51-11-29-60(30-12-51)133-142(116,117)118)78(96)88-70(43-52-13-31-61(32-14-52)134-143(119,120)121)79(97)89-71(44-53-15-33-62(34-16-53)135-144(122,123)124)80(98)90-72(81(99)100)45-54-17-35-63(36-18-54)136-145(125,126)127/h1-36,64-72H,37-45,82H2,(H,83,91)(H,84,92)(H,85,93)(H,86,94)(H,87,95)(H,88,96)(H,89,97)(H,90,98)(H,99,100)(H,101,102,103)(H,104,105,106)(H,107,108,109)(H,110,111,112)(H,113,114,115)(H,116,117,118)(H,119,120,121)(H,122,123,124)(H,125,126,127)/t64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1

InChIKey

YOFOXGNCAXAVSX-ZLABENONSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-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 16130555