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3-[5-[2-cyanoethyl-[(2S)-2-methyl-1-oxobutyl]amino]pentyl-[(2S)-2-methyl-1-oxobutyl]amino]propanoic acid ethyl ester
SpectraBase Compound ID 10EANpzO6Jk
InChI InChI=1S/C23H41N3O4/c1-6-19(4)22(28)25(17-12-14-24)15-10-9-11-16-26(23(29)20(5)7-2)18-13-21(27)30-8-3/h19-20H,6-13,15-18H2,1-5H3/t19-,20-/m0/s1
InChIKey VUNPHWJBNFSBHU-PMACEKPBSA-N
Mol Weight 423.6 g/mol
Molecular Formula C23H41N3O4
Exact Mass 423.309707 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5v6RdIPVBMo
Name 3-[5-[2-cyanoethyl-[(2S)-2-methyl-1-oxobutyl]amino]pentyl-[(2S)-2-methyl-1-oxobutyl]amino]propanoic acid ethyl ester
Alternate Name(s) 3-[5-[2-cyanoethyl-[(2S)-2-methylbutanoyl]amino]pentyl-[(2S)-2-methylbutanoyl]amino]propionic acid ethyl ester
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Formula C23H41N3O4
InChI InChI=1S/C23H41N3O4/c1-6-19(4)22(28)25(17-12-14-24)15-10-9-11-16-26(23(29)20(5)7-2)18-13-21(27)30-8-3/h19-20H,6-13,15-18H2,1-5H3/t19-,20-/m0/s1
InChIKey VUNPHWJBNFSBHU-PMACEKPBSA-N
Molecular Weight 423.598 g/mol
SMILES C(N(CCC(=O)OCC)CCCCCN(C(=O)[C@](CC)(C)[H])CCC#N)(=O)[C@](CC)(C)[H]
SPLASH splash10-052r-6619200000-cf4a13bd8cd3ae8764ee
Source of Spectrum J-63-3930-17
Wiley ID 1378961