Y-art-4

Structural Information

Molecular Formula

C₈₁H₈₃N₉O₄₉S₁₀

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)NS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C81H83N9O49S10/c91-73(83-66(39-48-5-23-57(24-6-48)133-143(110,111)112)75(93)85-68(41-50-9-27-59(28-10-50)135-145(116,117)118)77(95)87-70(43-52-13-31-61(32-14-52)137-147(122,123)124)79(97)89-72(81(99)100)45-54-17-35-63(36-18-54)139-149(128,129)130)64(37-46-1-19-55(20-2-46)131-141(104,105)106)82-74(92)65(38-47-3-21-56(22-4-47)132-142(107,108)109)84-76(94)67(40-49-7-25-58(26-8-49)134-144(113,114)115)86-78(96)69(42-51-11-29-60(30-12-51)136-146(119,120)121)88-80(98)71(90-140(101,102)103)44-53-15-33-62(34-16-53)138-148(125,126)127/h1-36,64-72,90H,37-45H2,(H,82,92)(H,83,91)(H,84,94)(H,85,93)(H,86,96)(H,87,95)(H,88,98)(H,89,97)(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)(H,128,129,130)/t64-,65-,66-,67-,68-,69-,70-,71-,72-/m0/s1

InChIKey

CROLCHOJJBLOHI-ZLABENONSA-N

Compound name

(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)propanoic acid

Related CIDs

• CID 16130554