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(S)-2-[(Tert.-butoxycarbonyl)-amino]-3-[(diphenylphosphino)-sulfide]-1-propanoic-acid

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(S)-2-[(Tert.-butoxycarbonyl)-amino]-3-[(diphenylphosphino)-sulfide]-1-propanoic-acid
SpectraBase Compound ID 6Kr6Vowvwcw
InChI InChI=1S/C20H24NO4PS/c1-20(2,3)25-19(24)21-17(18(22)23)14-26(27,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKey FCQMCWNOHGBGFU-KRWDZBQOSA-N
Mol Weight 405.45 g/mol
Molecular Formula C20H24NO4PS
Exact Mass 405.116366 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID yJrOfQKhIn
Name (S)-2-[(Tert.-butoxycarbonyl)-amino]-3-[(diphenylphosphino)-sulfide]-1-propanoic-acid
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 405.116366425 u
Formula C20H24NO4PS
InChI InChI=1S/C20H24NO4PS/c1-20(2,3)25-19(24)21-17(18(22)23)14-26(27,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17H,14H2,1-3H3,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKey FCQMCWNOHGBGFU-KRWDZBQOSA-N
Molecular Weight 405.449 g/mol
SMILES C(=O)(O)[C@](CP(=S)(C1=CC=CC=C1)C1=CC=CC=C1)(NC(=O)OC(C)(C)C)[H]