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TCO-PEG1-Val-Cit-OH
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TCO-PEG1-Val-Cit-OH

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Catalog NumberCCR369
IUPAC Name(2S)-5-(Carbamoylamino)-2-[[2-[3-[2-[[(3E)-cyclooct-3-en-1-yl]oxycarbonylamino]ethoxy]propanoylamino]-3-methylbutanoyl]amino]pentanoic acid
Molecular Weight541.6
Molecular FormulaC25H43N5O8
Canonical SMILESCC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)O)NC(=O)CCOCCNC(=O)OC1CCCCC=CC1
InChIInChI=1S/C25H43N5O8/c1-17(2)21(22(32)29-19(23(33)34)11-8-13-27-24(26)35)30-20(31)12-15-37-16-14-28-25(36)38-18-9-6-4-3-5-7-10-18/h4,6,17-19,21H,3,5,7-16H2,1-2H3,(H,28,36)(H,29,32)(H,30,31)(H,33,34)(H3,26,27,35)/b6-4+/t18?,19-,21?/m0/s1
InChI KeyMPXWAENVBXMTJM-HFYKEQRVSA-N
ApplicationIEDDA Click Reaction
Complexity805
Exact Mass541.31116335
Isomeric SMILESCC(C)C(C(=O)N[C@@H](CCCNC(=O)N)C(=O)O)NC(=O)CCOCCNC(=O)OC1CCCC/C=C/C1
Monoisotopic Mass541.31116335
Topological Polar Surface Area198Ų

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