Kkvkftarrgwqmkk

Structural Information

Molecular Formula

C₈₆H₁₄₆N₂₈O₁₈S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C86H146N28O18S/c1-49(2)69(113-79(126)60(30-14-19-40-90)105-72(119)55(92)26-11-16-37-87)82(129)110-59(29-13-18-39-89)76(123)112-65(45-52-23-7-6-8-24-52)81(128)114-70(51(4)115)83(130)102-50(3)71(118)104-61(33-22-43-99-86(96)97)74(121)106-57(32-21-42-98-85(94)95)73(120)101-48-68(117)103-66(46-53-47-100-56-27-10-9-25-54(53)56)80(127)108-62(34-35-67(93)116)77(124)109-63(36-44-133-5)78(125)107-58(28-12-17-38-88)75(122)111-64(84(131)132)31-15-20-41-91/h6-10,23-25,27,47,49-51,55,57-66,69-70,100,115H,11-22,26,28-46,48,87-92H2,1-5H3,(H2,93,116)(H,101,120)(H,102,130)(H,103,117)(H,104,118)(H,105,119)(H,106,121)(H,107,125)(H,108,127)(H,109,124)(H,110,129)(H,111,122)(H,112,123)(H,113,126)(H,114,128)(H,131,132)(H4,94,95,98)(H4,96,97,99)/t50-,51+,55-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,69-,70-/m0/s1

InChIKey

ZFIYPAGUIDJBGB-GDGFTEJTSA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 71596395