Hla-dr.b. peptide(141-155)

Structural Information

Molecular Formula

C₇₅H₁₁₃N₁₉O₂₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N

InChI

InChI=1S/C75H113N19O24/c1-11-37(8)60(92-67(109)46(25-34(2)3)83-56(102)32-82-71(113)61(38(9)96)93-69(111)51(33-95)90-72(114)59(36(6)7)91-70(112)58(79)35(4)5)73(115)85-44(21-23-52(76)98)64(106)88-49(28-54(78)100)63(105)81-31-55(101)84-50(29-57(103)104)66(108)87-48(27-41-30-80-43-20-16-15-19-42(41)43)68(110)94-62(39(10)97)74(116)89-47(26-40-17-13-12-14-18-40)65(107)86-45(75(117)118)22-24-53(77)99/h12-20,30,34-39,44-51,58-62,80,95-97H,11,21-29,31-33,79H2,1-10H3,(H2,76,98)(H2,77,99)(H2,78,100)(H,81,105)(H,82,113)(H,83,102)(H,84,101)(H,85,115)(H,86,107)(H,87,108)(H,88,106)(H,89,116)(H,90,114)(H,91,112)(H,92,109)(H,93,111)(H,94,110)(H,103,104)(H,117,118)/t37-,38+,39+,44-,45-,46-,47-,48-,49-,50-,51-,58-,59-,60-,61-,62-/m0/s1

InChIKey

SYVDDLZQLQPSEK-OGTAVBGPSA-N

Compound name

(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-carboxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133965