Peptide f84

Structural Information

Molecular Formula

C₇₆H₁₁₀N₁₆O₃₂

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](CC(=O)O)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](CC2=CC=C(C=C2)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C76H110N16O32/c1-6-36(4)62(92-72(119)48(88-73(120)60(79)37(5)93)31-39-15-17-40(94)18-16-39)75(122)89-47(30-38-12-8-7-9-13-38)69(116)84-46(23-28-56(102)103)68(115)91-61(35(2)3)74(121)85-45(22-27-55(100)101)67(114)86-49(32-57(104)105)70(117)83-42(19-24-52(78)95)64(111)80-41(14-10-11-29-77)63(110)81-43(20-25-53(96)97)65(112)82-44(21-26-54(98)99)66(113)87-50(33-58(106)107)71(118)90-51(76(123)124)34-59(108)109/h7-9,12-13,15-18,35-37,41-51,60-62,93-94H,6,10-11,14,19-34,77,79H2,1-5H3,(H2,78,95)(H,80,111)(H,81,110)(H,82,112)(H,83,117)(H,84,116)(H,85,121)(H,86,114)(H,87,113)(H,88,120)(H,89,122)(H,90,118)(H,91,115)(H,92,119)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,123,124)/t36-,37+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,60-,61-,62-/m0/s1

InChIKey

XXVWZOJHMRBEMQ-PGVJNDMMSA-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,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid

Related CIDs

• CID 16130269