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2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(R)-alanyl)amino]-6-methyl-
SpectraBase Compound ID KNzlCVH39bq
InChI InChI=1S/C16H28N2O5/c1-10(2)9-12(7-8-13(19)20)18-14(21)11(3)17-15(22)23-16(4,5)6/h7-8,10-12H,9H2,1-6H3,(H,17,22)(H,18,21)(H,19,20)/b8-7+
InChIKey RLVAMVBZIDBREQ-BQYQJAHWSA-N
Mol Weight 328.41 g/mol
Molecular Formula C16H28N2O5
Exact Mass 328.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4sfgOOfdCwp
Name 2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(R)-alanyl)amino]-6-methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H28N2O5
InChI InChI=1S/C16H28N2O5/c1-10(2)9-12(7-8-13(19)20)18-14(21)11(3)17-15(22)23-16(4,5)6/h7-8,10-12H,9H2,1-6H3,(H,17,22)(H,18,21)(H,19,20)/b8-7+
InChIKey RLVAMVBZIDBREQ-BQYQJAHWSA-N
Molecular Weight 328.409 g/mol
SMILES N(C(C(NC(OC(C)(C)C)=O)C)=O)C(\C=C\C(O)=O)CC(C)C
SPLASH splash10-052f-9200000000-86cec1dcf8a621779840
Synonyms 2-(E)-Heptenoic acid, (4S)-4-[(t-butoxycarbonyl-(S)-alanyl)amino]-6-methyl- (E)-4-[2-(tert-butoxycarbonylamino)propanoylamino]-6-methyl-hept-2-enoic acid (E)-6-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]hept-2-enoic acid (E)-6-methyl-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-2-heptenoic acid
Wiley ID 1492958