Fyiffvedqkeedd

Structural Information

Molecular Formula

C₈₅H₁₁₄N₁₆O₂₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CC=CC=C4)N

InChI

InChI=1S/C85H114N16O29/c1-5-45(4)71(101-82(126)58(40-49-24-26-50(102)27-25-49)94-72(116)51(87)37-46-17-9-6-10-18-46)84(128)98-57(38-47-19-11-7-12-20-47)78(122)95-59(39-48-21-13-8-14-22-48)81(125)100-70(44(2)3)83(127)93-56(31-35-66(108)109)77(121)96-60(41-67(110)111)79(123)92-53(28-32-63(88)103)74(118)89-52(23-15-16-36-86)73(117)90-54(29-33-64(104)105)75(119)91-55(30-34-65(106)107)76(120)97-61(42-68(112)113)80(124)99-62(85(129)130)43-69(114)115/h6-14,17-22,24-27,44-45,51-62,70-71,102H,5,15-16,23,28-43,86-87H2,1-4H3,(H2,88,103)(H,89,118)(H,90,117)(H,91,119)(H,92,123)(H,93,127)(H,94,116)(H,95,122)(H,96,121)(H,97,120)(H,98,128)(H,99,124)(H,100,125)(H,101,126)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,129,130)/t45-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,70-,71-/m0/s1

InChIKey

MSVQGJVHAFKBHF-MZXXFXLHSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid

Related CIDs

• CID 16130166