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BCN-PEG1-Val-Cit-OH
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BCN-PEG1-Val-Cit-OH

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Catalog NumberCCR277
IUPAC Name(2S)-2-[[2-[3-[2-(9-Bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]propanoylamino]-3-methylbutanoyl]amino]-5-(carbamoylamino)pentanoic acid
Molecular Weight565.7
Molecular FormulaC27H43N5O8
Canonical SMILESCC(C)C(C(=O)NC(CCCNC(=O)N)C(=O)O)NC(=O)CCOCCNC(=O)OCC1C2C1CCC#CCC2
InChIInChI=1S/C27H43N5O8/c1-17(2)23(24(34)31-21(25(35)36)10-7-12-29-26(28)37)32-22(33)11-14-39-15-13-30-27(38)40-16-20-18-8-5-3-4-6-9-19(18)20/h17-21,23H,5-16H2,1-2H3,(H,30,38)(H,31,34)(H,32,33)(H,35,36)(H3,28,29,37)/t18?,19?,20?,21-,23?/m0/s1
InChI KeyZMNHKMPWSOWDHJ-YYCBCANDSA-N
ApplicationSPAAC & SPANC Click Reaction
Complexity941
Exact Mass565.31116335
Isomeric SMILESCC(C)C(C(=O)N[C@@H](CCCNC(=O)N)C(=O)O)NC(=O)CCOCCNC(=O)OCC1C2C1CCC#CCC2
Monoisotopic Mass565.31116335
Topological Polar Surface Area198Ų

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