1H-Pyrido[3,4-b]indole, propanedioic acid deriv.

SpectraBase Compound ID	HMktbdo6AUn
InChI	InChI=1S/C21H27N3O5/c1-3-28-20(26)13(21(27)29-4-2)9-10-16-18-14(11-17(23-16)19(22)25)12-7-5-6-8-15(12)24-18/h5-8,13,16-17,23-24H,3-4,9-11H2,1-2H3,(H2,22,25)/t16-,17+/m1/s1
InChIKey	JFJLMCAECWCMRY-SJORKVTESA-N Google Search
Mol Weight	401.46 g/mol
Molecular Formula	C21H27N3O5
Exact Mass	401.195071 g/mol

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SpectraBase Spectrum ID	6La5SqwiD1R
Name	1H-Pyrido[3,4-b]indole, propanedioic acid deriv.
CAS Registry Number	117626-48-9
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H27N3O5
InChI	InChI=1S/C21H27N3O5/c1-3-28-20(26)13(21(27)29-4-2)9-10-16-18-14(11-17(23-16)19(22)25)12-7-5-6-8-15(12)24-18/h5-8,13,16-17,23-24H,3-4,9-11H2,1-2H3,(H2,22,25)/t16-,17+/m1/s1
InChIKey	JFJLMCAECWCMRY-SJORKVTESA-N
Molecular Weight	401.463 g/mol
SMILES	[nH]1c2c(c3C[C@@](C(=O)N)(N[C@@](c13)(CCC(C(=O)OCC)C(=O)OCC)[H])[H])cccc2
SPLASH	splash10-0j4i-0690300000-d62cfe77b1a6a2f8734a
Source of Spectrum	C-111-307-24
Synonyms	Propanedioic acid, [2-[3-(aminocarbonyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]ethyl]-, diethyl ester, (1R-trans)- (1R,3S)-ethyl 2,3,4,9-tetrahydro-3-carbamoyl-.alpha.-(ethoxycarbonyl)-1H-pyrido[3,4-b]indole-1-butanoate Diethyl 2-{2-[(1R,3S)-3-(aminocarbonyl)-2,3,4,9-tetrahydro-1H-.beta.-carbolin-1-yl]ethyl}malonate
Wiley ID	1369973