Fyiffvffqkeedd

Structural Information

Molecular Formula

C₉₄H₁₂₀N₁₆O₂₅

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](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)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](CC5=CC=C(C=C5)O)NC(=O)[C@H](CC6=CC=CC=C6)N

InChI

InChI=1S/C94H120N16O25/c1-5-54(4)80(110-91(131)70(50-60-34-36-61(111)37-35-60)102-81(121)62(96)45-55-23-11-6-12-24-55)93(133)107-69(48-58-29-17-9-18-30-58)88(128)104-71(49-59-31-19-10-20-32-59)90(130)109-79(53(2)3)92(132)106-68(47-57-27-15-8-16-28-57)87(127)103-67(46-56-25-13-7-14-26-56)86(126)101-64(38-41-74(97)112)83(123)98-63(33-21-22-44-95)82(122)99-65(39-42-75(113)114)84(124)100-66(40-43-76(115)116)85(125)105-72(51-77(117)118)89(129)108-73(94(134)135)52-78(119)120/h6-20,23-32,34-37,53-54,62-73,79-80,111H,5,21-22,33,38-52,95-96H2,1-4H3,(H2,97,112)(H,98,123)(H,99,122)(H,100,124)(H,101,126)(H,102,121)(H,103,127)(H,104,128)(H,105,125)(H,106,132)(H,107,133)(H,108,129)(H,109,130)(H,110,131)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,134,135)/t54-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,79-,80-/m0/s1

InChIKey

TVAGAEAVMYGXGS-BYJGDFOOSA-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]-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 16130273