2-[(3R,4R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-keto-4-phenyl-piperidino]acetic acid tert-butyl ester

SpectraBase Compound ID	4C5sYdgun75
InChI	InChI=1S/C32H34N2O5/c1-32(2,3)39-28(35)19-34-18-17-22(21-11-5-4-6-12-21)29(30(34)36)33-31(37)38-20-27-25-15-9-7-13-23(25)24-14-8-10-16-26(24)27/h4-16,22,27,29H,17-20H2,1-3H3,(H,33,37)/t22-,29-/m1/s1
InChIKey	OKIDGWJNVUTHOQ-KPURRNSFSA-N Google Search
Mol Weight	526.6 g/mol
Molecular Formula	C32H34N2O5
Exact Mass	526.246772 g/mol

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SpectraBase Spectrum ID	1OnBYndIfuD
Name	2-[(3R,4R)-3-(9H-Fluoren-9-ylmethoxycarbonylamino)-2-keto-4-phenyl-piperidino]acetic acid tert-butyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	526.246772198 u
Formula	C32H34N2O5
InChI	InChI=1S/C32H34N2O5/c1-32(2,3)39-28(35)19-34-18-17-22(21-11-5-4-6-12-21)29(30(34)36)33-31(37)38-20-27-25-15-9-7-13-23(25)24-14-8-10-16-26(24)27/h4-16,22,27,29H,17-20H2,1-3H3,(H,33,37)/t22-,29-/m1/s1
InChIKey	OKIDGWJNVUTHOQ-KPURRNSFSA-N
Molecular Weight	526.633 g/mol
SMILES	C1(N(CC(OC(C)(C)C)=O)CC[C@@]([C@]1(NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)[H])(C=1C=CC=CC1)[H])=O