Reltecimod, a CD 28 T-lymphocyte receptor mimetic, inhibits T-cell stimulation by an array of bacterial pathogens.
CAT No: R2024
CAS No: 1447799-33-8
Synonyms/Alias: Reltecimod;1447799-33-8;Reltecimod [INN];Reltecimod [USAN];AB103;U00J02UY29;(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid;(5S,8S,11S,14S,17S,20S,23R)-5-((S)-1-((S)-2-((R)-2-Aminopropanamido)-3-hydroxypropanoyl)pyrrolidine-2-carboxamido)-20-(carboxymethyl)-17-(4-hydroxybenzyl)-8-isobutyl-11-isopropyl-14,23-dimethyl-6,9,12,15,18,21-hexaoxo-2-thia-7,10,13,16,19,22-hexaazatetracosan-24-oic acid;Reltecimod [WHO-DD];Reltecimod (USAN/INN);Reltecimod [USAN:INN];UNII-U00J02UY29;CHEMBL3989950;EX-A9769;HY-P1698;AKOS040747616;DA-67150;CS-0090321;D11281;Q27290502;D-ALANYL(HUMAN T-CELL-SPECIFIC SURFACE GLYCOPROTEIN CD28-(8-15)-PEPTIDYL)-D-ALANINE;D-ALANINE, D-ALANYL-L-SERYL-L-PROLYL-L-METHIONYL-L-LEUCYL-L-VALYL-L-ALANYL-L-TYROSYL-L-.ALPHA.-ASPARTYL-;D-Alanine, D-alanyl-L-seryl-L-prolyl-L-methionyl-L-leucyl-L-valyl-L-alanyl-L-tyrosyl-L-alpha-aspartyl-;D-ALANYL-(T-CELL-SPECIFIC SURFACE GLYCOPROTEIN CD28-(8-15)- PEPTIDE)-D-ALANINE:D-ALANYL-L-SERYL-L-PROLYL-L-METHIONYL-L-LEUCYL-L-VALYL-L-ALANYL-L-TYROSYL-L-.ALPHA.-ASPARTYL-D-ALANINE IMMUNOMODULATOR;D-Alanyl-(t-cell-specific surface glycoprotein CD28-(8-15)- peptide)-D-alanine:D-alanyl-L-seryl-L-prolyl-L-methionyl-L-leucyl-L-valyl-L-alanyl-L-tyrosyl-L-alpha-aspartyl-D-alanine immunomodulator;D-ALANYL-L-SERYL-L-PROLYL-L-METHIONYL-L-LEUCYL-L-VALYL-L-ALANYL-L-TYROSYL-L-ASPARTYL-D-ALANINE;
Chemical Name: (3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-[[(1R)-1-carboxyethyl]amino]-4-oxobutanoic acid
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M.F/Formula | C46H72N10O15S |
M.W/Mr. | 1037.2 |
Sequence | One Letter Code:ASPMLVAYDA Three Letter Code:H-D-Ala-Ser-Pro-Met-Leu-Val-Ala-Tyr-Asp-D-Ala-OH |
InChI | InChI=1S/C46H72N10O15S/c1-22(2)18-30(52-39(63)29(15-17-72-8)50-43(67)34-10-9-16-56(34)45(69)33(21-57)54-37(61)24(5)47)42(66)55-36(23(3)4)44(68)48-25(6)38(62)51-31(19-27-11-13-28(58)14-12-27)41(65)53-32(20-35(59)60)40(64)49-26(7)46(70)71/h11-14,22-26,29-34,36,57-58H,9-10,15-21,47H2,1-8H3,(H,48,68)(H,49,64)(H,50,67)(H,51,62)(H,52,63)(H,53,65)(H,54,61)(H,55,66)(H,59,60)(H,70,71)/t24-,25+,26-,29+,30+,31+,32+,33+,34+,36+/m1/s1 |
InChI Key | VRNHFZYMPDKTBS-WYUJEMNCSA-N |
Canonical SMILES | CC(C)CC(C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)O)NC(=O)C(CCSC)NC(=O)C2CCCN2C(=O)C(CO)NC(=O)C(C)N |
Isomeric SMILES | C[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C)C(=O)O)N |
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