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2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl)-(R)-phenylalanyl)amino]-6-methyl-, methyl ester
SpectraBase Compound ID HNd8gL8QpCF
InChI InChI=1S/C23H34N2O5/c1-16(2)14-18(12-13-20(26)29-6)24-21(27)19(15-17-10-8-7-9-11-17)25-22(28)30-23(3,4)5/h7-13,16,18-19H,14-15H2,1-6H3,(H,24,27)(H,25,28)/b13-12+
InChIKey XIFHZBWZJXHYHU-OUKQBFOZSA-N
Mol Weight 418.5 g/mol
Molecular Formula C23H34N2O5
Exact Mass 418.246772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JtyJNlk9EVx
Name 2-(E)-HEPTENOIC ACID, (4S)-4-[(tert-BUTYLOXYCARBONYL)-(R)-PHENYLALANYL)AMINO]-6-METHYL-, METHYL ESTER (BOC-D-PHE-L-DHSOME)
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Formula C23H34N2O5
InChI InChI=1S/C23H34N2O5/c1-16(2)14-18(12-13-20(26)29-6)24-21(27)19(15-17-10-8-7-9-11-17)25-22(28)30-23(3,4)5/h7-13,16,18-19H,14-15H2,1-6H3,(H,24,27)(H,25,28)/b13-12+
InChIKey XIFHZBWZJXHYHU-OUKQBFOZSA-N
Instrument Name 311A
Molecular Weight 418.2459
SMILES N(C(C(NC(CC(C)C)\C=C\C(OC)=O)=O)Cc1ccccc1)C(=O)OC(C)(C)C
SPLASH splash10-0c00-6910000000-b2b033f4f94fe106458b
Source of Spectrum Chemical Concepts, A Wiley Division, Weinheim, Germany