Peptide derived from ccr5 n-terminal fused to the fc region of human igg1

Structural Information

Molecular Formula

C₁₁₇H₁₇₀N₂₆O₅₃S₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)OS(=O)(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC2=CC=C(C=C2)OS(=O)(=O)O)C(=O)N[C@@H](CC3=CC=C(C=C3)OS(=O)(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC6=CC=C(C=C6)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C117H170N26O53S5/c1-9-57(5)93(112(174)133-77(49-88(122)151)102(164)128-74(46-61-20-28-65(29-21-61)194-199(184,185)186)100(162)130-76(48-63-24-32-67(33-25-63)196-201(190,191)192)104(166)141-95(59(7)148)114(176)136-81(53-145)107(169)125-71(36-39-89(152)153)115(177)142-42-13-16-84(142)109(171)134-80(52-144)106(168)124-69(34-37-86(120)149)97(159)126-72(117(179)180)15-11-12-41-118)139-105(167)79(51-91(156)157)131-101(163)75(47-62-22-30-66(31-23-62)195-200(187,188)189)132-113(175)94(58(6)10-2)140-110(172)85-17-14-43-143(85)116(178)83(55-147)137-108(170)82(54-146)135-111(173)92(56(3)4)138-98(160)70(35-38-87(121)150)123-99(161)73(45-60-18-26-64(27-19-60)193-198(181,182)183)129-103(165)78(50-90(154)155)127-96(158)68(119)40-44-197-8/h18-33,56-59,68-85,92-95,144-148H,9-17,34-55,118-119H2,1-8H3,(H2,120,149)(H2,121,150)(H2,122,151)(H,123,161)(H,124,168)(H,125,169)(H,126,159)(H,127,158)(H,128,164)(H,129,165)(H,130,162)(H,131,163)(H,132,175)(H,133,174)(H,134,171)(H,135,173)(H,136,176)(H,137,170)(H,138,160)(H,139,167)(H,140,172)(H,141,166)(H,152,153)(H,154,155)(H,156,157)(H,179,180)(H,181,182,183)(H,184,185,186)(H,187,188,189)(H,190,191,192)/t57-,58-,59+,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,92-,93-,94-,95-/m0/s1

InChIKey

VXFGCOUQXNMONK-FJSLEGQWSA-N

Compound name

(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid

Related CIDs

• CID 16186601