(2S,4S)-4-(tert-butoxycarbonylamino)-1-[(1R)-1-phenylethyl]pipecolinic acid ethyl ester

SpectraBase Compound ID	GKuSs6aZOOt
InChI	InChI=1S/C21H32N2O4/c1-6-26-19(24)18-14-17(22-20(25)27-21(3,4)5)12-13-23(18)15(2)16-10-8-7-9-11-16/h7-11,15,17-18H,6,12-14H2,1-5H3,(H,22,25)/t15-,17+,18+/m1/s1
InChIKey	LBWUVVIUXBHCAK-NJAFHUGGSA-N Google Search
Mol Weight	376.5 g/mol
Molecular Formula	C21H32N2O4
Exact Mass	376.236208 g/mol

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SpectraBase Spectrum ID	3JDH6Dufg06
Name	(2S,4S)-4-(Tert-butoxycarbonylamino)-1-[(1R)-1-phenylethyl]pipecolinic acid ethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	376.236207514 u
Formula	C21H32N2O4
InChI	InChI=1S/C21H32N2O4/c1-6-26-19(24)18-14-17(22-20(25)27-21(3,4)5)12-13-23(18)15(2)16-10-8-7-9-11-16/h7-11,15,17-18H,6,12-14H2,1-5H3,(H,22,25)/t15-,17+,18+/m1/s1
InChIKey	LBWUVVIUXBHCAK-NJAFHUGGSA-N
Molecular Weight	376.497 g/mol
SMILES	[C@]1(N(CC[C@@](C1)(NC(=O)OC(C)(C)C)[H])[C@](C)(C=1C=CC=CC1)[H])(C(=O)OCC)[H]