Kkkklllpflflv

Structural Information

Molecular Formula

C₈₂H₁₃₉N₁₇O₁₄

SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C82H139N17O14/c1-49(2)42-61(91-73(103)60(35-22-26-40-86)90-72(102)59(34-21-25-39-85)89-71(101)58(33-20-24-38-84)88-70(100)57(87)32-19-23-37-83)74(104)92-63(44-51(5)6)76(106)97-67(46-53(9)10)81(111)99-41-27-36-68(99)80(110)96-66(48-56-30-17-14-18-31-56)78(108)93-62(43-50(3)4)75(105)95-65(47-55-28-15-13-16-29-55)77(107)94-64(45-52(7)8)79(109)98-69(54(11)12)82(112)113/h13-18,28-31,49-54,57-69H,19-27,32-48,83-87H2,1-12H3,(H,88,100)(H,89,101)(H,90,102)(H,91,103)(H,92,104)(H,93,108)(H,94,107)(H,95,105)(H,96,110)(H,97,106)(H,98,109)(H,112,113)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1

InChIKey

WIEXFRDEYOEXNE-BYVXEZIZSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(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]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 16073016