Fyifevefqkeedd

Structural Information

Molecular Formula

C₈₆H₁₁₆N₁₆O₂₉

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](CCC(=O)O)C(=O)N[C@@H](CC2=CC=CC=C2)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/C86H116N16O29/c1-5-46(4)72(102-83(127)61(42-50-24-26-51(103)27-25-50)96-73(117)52(88)39-47-17-9-6-10-18-47)85(129)99-60(41-49-21-13-8-14-22-49)81(125)94-58(32-37-68(111)112)79(123)101-71(45(2)3)84(128)95-57(31-36-67(109)110)78(122)97-59(40-48-19-11-7-12-20-48)80(124)93-54(28-33-64(89)104)75(119)90-53(23-15-16-38-87)74(118)91-55(29-34-65(105)106)76(120)92-56(30-35-66(107)108)77(121)98-62(43-69(113)114)82(126)100-63(86(130)131)44-70(115)116/h6-14,17-22,24-27,45-46,52-63,71-72,103H,5,15-16,23,28-44,87-88H2,1-4H3,(H2,89,104)(H,90,119)(H,91,118)(H,92,120)(H,93,124)(H,94,125)(H,95,128)(H,96,117)(H,97,122)(H,98,121)(H,99,129)(H,100,126)(H,101,123)(H,102,127)(H,105,106)(H,107,108)(H,109,110)(H,111,112)(H,113,114)(H,115,116)(H,130,131)/t46-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,71-,72-/m0/s1

InChIKey

PKIJSROTLVFBHP-RITSRAEZSA-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]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid

Related CIDs

• CID 16130256