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Pentanoic acid, 5-[(2-methoxy-1-methyl-2-oxoethyl)amino]-5-oxo-3-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, [S-(R*,R*)]-
SpectraBase Compound ID FHhppkAJiLg
InChI InChI=1S/C18H24N2O7/c1-12(17(23)26-3)19-15(21)9-14(10-16(22)25-2)20-18(24)27-11-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,19,21)(H,20,24)/t12-,14-/m0/s1
InChIKey SFMUADHUHIZJPP-JSGCOSHPSA-N
Mol Weight 380.4 g/mol
Molecular Formula C18H24N2O7
Exact Mass 380.158351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID At0amLAYenf
Name Pentanoic acid, 5-[(2-methoxy-1-methyl-2-oxoethyl)amino]-5-oxo-3-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, [S-(R*,R*)]-
Alternate Name(s) (3S)-3-benzyloxycarbonylaminoglutaryl-(S)-alanine dimethyl ester Methyl (3S)-3-{[(benzyloxy)carbonyl]amino}-5-{[(1S)-2-methoxy-1-methyl-2-oxoethyl]amino}-5-oxopentanoate
CAS Registry Number 130737-74-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H24N2O7
InChI InChI=1S/C18H24N2O7/c1-12(17(23)26-3)19-15(21)9-14(10-16(22)25-2)20-18(24)27-11-13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3,(H,19,21)(H,20,24)/t12-,14-/m0/s1
InChIKey SFMUADHUHIZJPP-JSGCOSHPSA-N
Molecular Weight 380.397 g/mol
SMILES N(C(C[C@@](CC(=O)OC)(NC(=O)OCc1ccccc1)[H])=O)[C@](C(=O)OC)(C)[H]
SPLASH splash10-0006-9100000000-2de4b209ca5c01138097
Source of Spectrum KC-1990-2367-6
Wiley ID 1359582