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1,3,5-Tris(L-2-amino-4-methylsulfanyl-N-propylbutyramide)benzene tristrifluoroacetate
SpectraBase Compound ID FwVTxb5qScC
InChI InChI=1S/C30H54N6O3S3/c1-40-16-10-25(31)28(37)34-13-4-7-22-19-23(8-5-14-35-29(38)26(32)11-17-41-2)21-24(20-22)9-6-15-36-30(39)27(33)12-18-42-3/h19-21,25-27H,4-18,31-33H2,1-3H3,(H,34,37)(H,35,38)(H,36,39)
InChIKey CGZGWEGURUKQBO-UHFFFAOYSA-N
Mol Weight 643.0 g/mol
Molecular Formula C30H54N6O3S3
Exact Mass 642.341953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dbo1vznyi
Name 1,3,5-Tris(L-2-amino-4-methylsulfanyl-N-propylbutyramide)benzene tristrifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H54N6O3S3
InChI InChI=1S/C30H54N6O3S3/c1-40-16-10-25(31)28(37)34-13-4-7-22-19-23(8-5-14-35-29(38)26(32)11-17-41-2)21-24(20-22)9-6-15-36-30(39)27(33)12-18-42-3/h19-21,25-27H,4-18,31-33H2,1-3H3,(H,34,37)(H,35,38)(H,36,39)
InChIKey CGZGWEGURUKQBO-UHFFFAOYSA-N
Molecular Weight 642.981 g/mol
SMILES NC(C(=O)NCCCc1cc(CCCNC(C(N)CCSC)=O)cc(c1)CCCNC(C(N)CCSC)=O)CCSC
SPLASH splash10-0udr-0009070000-cf4697bbe901d43d8ec4
Source of Spectrum QF-10-1184-13
Wiley ID 1559345