CAT No: R1933
CAS No: 906480-09-9
Synonyms/Alias: TFFYGGSRGKRNNFKTEEYC;906480-09-9;L-Cysteine, L-threonyl-L-phenylalanyl-L-phenylalanyl-L-tyrosylglycylglycyl-L-seryl-L-arginylglycyl-L-lysyl-L-arginyl-L-asparaginyl-L-asparaginyl-L-phenylalanyl-L-lysyl-L-threonyl-L-alpha-glutamyl-L-alpha-glutamyl-L-tyrosyl-;
Chemical Name: 4-[[2-[[2-[[6-amino-2-[[2-[[4-amino-2-[[4-amino-2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[1-[(1-carboxy-2-sulfanylethyl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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M.F/Formula | C107H154N30O32S |
M.W/Mr. | 2404.6 |
Sequence | One Letter Code:XFFYGGSRGKRNNFKXEEYC Three Letter Code:H-DL-xiThr-DL-Phe-DL-Phe-DL-Tyr-Gly-Gly-DL-Ser-DL-Arg-Gly-DL-Lys-DL-Arg-DL-Asn-DL-Asn-DL-Phe-DL-Lys-DL-xiThr-DL-Glu-DL-Glu-DL-Tyr-DL-Cys-OH |
InChI | InChI=1S/C107H154N30O32S/c1-56(139)87(112)103(166)135-75(46-60-22-10-5-11-23-60)98(161)131-73(45-59-20-8-4-9-21-59)97(160)129-71(47-61-28-32-63(141)33-29-61)90(153)120-51-82(145)119-52-83(146)123-78(54-138)102(165)124-65(26-16-42-117-106(113)114)89(152)121-53-84(147)122-66(24-12-14-40-108)91(154)125-68(27-17-43-118-107(115)116)92(155)133-76(49-80(110)143)101(164)134-77(50-81(111)144)100(163)132-72(44-58-18-6-3-7-19-58)96(159)126-67(25-13-15-41-109)95(158)137-88(57(2)140)104(167)128-70(37-39-86(150)151)93(156)127-69(36-38-85(148)149)94(157)130-74(48-62-30-34-64(142)35-31-62)99(162)136-79(55-170)105(168)169/h3-11,18-23,28-35,56-57,65-79,87-88,138-142,170H,12-17,24-27,36-55,108-109,112H2,1-2H3,(H2,110,143)(H2,111,144)(H,119,145)(H,120,153)(H,121,152)(H,122,147)(H,123,146)(H,124,165)(H,125,154)(H,126,159)(H,127,156)(H,128,167)(H,129,160)(H,130,157)(H,131,161)(H,132,163)(H,133,155)(H,134,164)(H,135,166)(H,136,162)(H,137,158)(H,148,149)(H,150,151)(H,168,169)(H4,113,114,117)(H4,115,116,118) |
InChI Key | NTEVJSCQHIRPSH-UHFFFAOYSA-N |
Canonical SMILES | CC(C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NCC(=O)NCC(=O)NC(CO)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC5=CC=C(C=C5)O)C(=O)NC(CS)C(=O)O)N)O |
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