6-Azabicyclo[3.2.1]octane, L-alanine deriv.

SpectraBase Compound ID	Bvih0uSL7Id
InChI	InChI=1S/C25H32N4O5/c1-16(23(31)34-25(2,3)4)28-22-19(12-26)10-18-11-20(22)29(14-18)21(30)13-27-24(32)33-15-17-8-6-5-7-9-17/h5-9,16,18,20,28H,10-11,13-15H2,1-4H3,(H,27,32)/t16-,18+,20?/m0/s1
InChIKey	VWAFMYBVXLUAHS-HYJPWMOMSA-N Google Search
Mol Weight	468.6 g/mol
Molecular Formula	C25H32N4O5
Exact Mass	468.23727 g/mol

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SpectraBase Spectrum ID	C1Jp8ftRBek
Name	6-Azabicyclo[3.2.1]octane, L-alanine deriv.
CAS Registry Number	115648-75-4
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H32N4O5
InChI	InChI=1S/C25H32N4O5/c1-16(23(31)34-25(2,3)4)28-22-19(12-26)10-18-11-20(22)29(14-18)21(30)13-27-24(32)33-15-17-8-6-5-7-9-17/h5-9,16,18,20,28H,10-11,13-15H2,1-4H3,(H,27,32)/t16-,18+,20?/m0/s1
InChIKey	VWAFMYBVXLUAHS-HYJPWMOMSA-N
Molecular Weight	468.554 g/mol
SMILES	N(C(=O)OCc1ccccc1)CC(N1C2C(=C(C[C@](C1)([H])C2)C#N)N[C@](C(OC(C)(C)C)=O)(C)[H])=O
SPLASH	splash10-0006-9210000000-e375392f448751d33392
Source of Spectrum	J-54-115-18
Synonyms	L-Alanine, N-[3-cyano-6-[[[(phenylmethoxy)carbonyl]amino]acetyl]-6-azabicyclo[3.2.1]oct-3-en-4-yl]-, 1,1-dimethylethyl ester, (1R)- tert-Butyl (2S)-2-{[(1R)-6-({[(benzyloxy)carbonyl]amino}acetyl)-3-cyano-6-azabicyclo[3.2.1]oct-3-en-4-yl]amino}propanoate tert-Butyl N-[4-[6-[2-[(benzyloxycarbonyl)amino]-2-oxoethyl]-3-cyano-6-azabicyclo[3.2.1]oct-3-enyl]]-L-alaninate
Wiley ID	1392382