Aklevvaatyvkkk

Structural Information

Molecular Formula

C₇₂H₁₂₆N₁₈O₁₉

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)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](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C72H126N18O19/c1-37(2)35-52(85-64(100)47(21-13-17-31-73)80-59(95)41(9)77)66(102)82-50(29-30-54(93)94)65(101)87-57(40(7)8)70(106)89-55(38(3)4)68(104)79-42(10)60(96)78-43(11)61(97)90-58(44(12)91)71(107)86-53(36-45-25-27-46(92)28-26-45)67(103)88-56(39(5)6)69(105)83-49(23-15-19-33-75)62(98)81-48(22-14-18-32-74)63(99)84-51(72(108)109)24-16-20-34-76/h25-28,37-44,47-53,55-58,91-92H,13-24,29-36,73-77H2,1-12H3,(H,78,96)(H,79,104)(H,80,95)(H,81,98)(H,82,102)(H,83,105)(H,84,99)(H,85,100)(H,86,107)(H,87,101)(H,88,103)(H,89,106)(H,90,97)(H,93,94)(H,108,109)/t41-,42-,43-,44+,47-,48-,49-,50-,51-,52-,53-,55-,56-,57-,58-/m0/s1

InChIKey

PDGQBAVQMAPMLM-BUYZKPAZSA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-aminopropanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 16072957