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(3S,4S)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-6-methyl-3-[[(phenylmethoxy)carbonyl]amino]heptanoic acid
SpectraBase Compound ID HMdIhlvBaqD
InChI InChI=1S/C21H32N2O6/c1-14(2)11-16(23-20(27)29-21(3,4)5)17(12-18(24)25)22-19(26)28-13-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3,(H,22,26)(H,23,27)(H,24,25)/t16-,17-/m0/s1
InChIKey XFIWEIZSOCOXGF-IRXDYDNUSA-N
Mol Weight 408.5 g/mol
Molecular Formula C21H32N2O6
Exact Mass 408.226037 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Tr72Iu6Ngh
Name (3S,4S)-4-[[(1,1-dimethylethoxy)carbonyl]amino]-6-methyl-3-[[(phenylmethoxy)carbonyl]amino]heptanoic acid
CAS Registry Number 100512-24-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H32N2O6
InChI InChI=1S/C21H32N2O6/c1-14(2)11-16(23-20(27)29-21(3,4)5)17(12-18(24)25)22-19(26)28-13-15-9-7-6-8-10-15/h6-10,14,16-17H,11-13H2,1-5H3,(H,22,26)(H,23,27)(H,24,25)/t16-,17-/m0/s1
InChIKey XFIWEIZSOCOXGF-IRXDYDNUSA-N
Molecular Weight 408.495 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@]([C@](CC(=O)O)(NC(=O)OCc1ccccc1)[H])(CC(C)C)[H]
SPLASH splash10-000f-9100000000-e66b5a6f39e313d9ada7
Source of Spectrum J-53-3631-9
Synonyms (3S,4S)-3-{[(benzyloxy)carbonyl]amino}-4-[(tert-butoxycarbonyl)amino]-6-methylheptanoic acid (3S,4S)-6-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(phenylmethoxycarbonylamino)heptanoic acid (3S,4S)-3-(benzyloxycarbonylamino)-4-(tert-butoxycarbonylamino)-6-methyl-heptanoic acid (3S,4S)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)heptanoic acid
Wiley ID 1372882