Kkkkvvaatyfffa

Structural Information

Molecular Formula

C₈₃H₁₂₆N₁₈O₁₇

SMILES

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

InChI

InChI=1S/C83H126N18O17/c1-48(2)67(100-81(115)68(49(3)4)99-75(109)62(35-21-25-43-87)94-74(108)61(34-20-24-42-86)93-73(107)60(33-19-23-41-85)92-72(106)59(88)32-18-22-40-84)80(114)90-50(5)70(104)89-51(6)71(105)101-69(53(8)102)82(116)98-66(47-57-36-38-58(103)39-37-57)79(113)97-65(46-56-30-16-11-17-31-56)78(112)96-64(45-55-28-14-10-15-29-55)77(111)95-63(44-54-26-12-9-13-27-54)76(110)91-52(7)83(117)118/h9-17,26-31,36-39,48-53,59-69,102-103H,18-25,32-35,40-47,84-88H2,1-8H3,(H,89,104)(H,90,114)(H,91,110)(H,92,106)(H,93,107)(H,94,108)(H,95,111)(H,96,112)(H,97,113)(H,98,116)(H,99,109)(H,100,115)(H,101,105)(H,117,118)/t50-,51-,52-,53+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1

InChIKey

GTGYMWXFGAVSOO-HTTRRDHKSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid

Related CIDs

• CID 16186475