Tyifevffqkeedd

Structural Information

Molecular Formula

C₈₅H₁₁₆N₁₆O₂₈

SMILES

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

InChI

InChI=1S/C85H116N16O28/c1-6-45(4)71(101-81(124)60(96-82(125)69(88)46(5)102)41-50-25-27-51(103)28-26-50)84(127)98-58(39-48-20-12-8-13-21-48)78(121)93-56(32-36-66(109)110)76(119)100-70(44(2)3)83(126)97-59(40-49-22-14-9-15-23-49)79(122)94-57(38-47-18-10-7-11-19-47)77(120)92-53(29-33-63(87)104)73(116)89-52(24-16-17-37-86)72(115)90-54(30-34-64(105)106)74(117)91-55(31-35-65(107)108)75(118)95-61(42-67(111)112)80(123)99-62(85(128)129)43-68(113)114/h7-15,18-23,25-28,44-46,52-62,69-71,102-103H,6,16-17,24,29-43,86,88H2,1-5H3,(H2,87,104)(H,89,116)(H,90,115)(H,91,117)(H,92,120)(H,93,121)(H,94,122)(H,95,118)(H,96,125)(H,97,126)(H,98,127)(H,99,123)(H,100,119)(H,101,124)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,128,129)/t45-,46+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,69-,70-,71-/m0/s1

InChIKey

HAHNPIPNZFIDCA-KPERZKITSA-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,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid

Related CIDs

• CID 16130257