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2H-Pyrrolo[3,4-b]quinoline-2-propanoic acid, 1,3-dihydro-.alpha.-[1-(hydroxymethyl)-3-oxo-3-(1-pyrrolidinyl)propyl]-.beta.-oxo-, methyl ester, (R*,R*)-
SpectraBase Compound ID 5YBMTVtpLKH
InChI InChI=1S/C23H27N3O5/c1-31-23(30)21(17(14-27)11-20(28)25-8-4-5-9-25)22(29)26-12-16-10-15-6-2-3-7-18(15)24-19(16)13-26/h2-3,6-7,10,17,21,27H,4-5,8-9,11-14H2,1H3/t17-,21+/m0/s1
InChIKey QIUFQACEVOKGHS-LAUBAEHRSA-N
Mol Weight 425.49 g/mol
Molecular Formula C23H27N3O5
Exact Mass 425.195071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E092Hokawre
Name 2H-Pyrrolo[3,4-b]quinoline-2-propanoic acid, 1,3-dihydro-.alpha.-[1-(hydroxymethyl)-3-oxo-3-(1-pyrrolidinyl)propyl]-.beta.-oxo-, methyl ester, (R*,R*)-
CAS Registry Number 74713-28-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H27N3O5
InChI InChI=1S/C23H27N3O5/c1-31-23(30)21(17(14-27)11-20(28)25-8-4-5-9-25)22(29)26-12-16-10-15-6-2-3-7-18(15)24-19(16)13-26/h2-3,6-7,10,17,21,27H,4-5,8-9,11-14H2,1H3/t17-,21+/m0/s1
InChIKey QIUFQACEVOKGHS-LAUBAEHRSA-N
Molecular Weight 425.485 g/mol
SMILES OC[C@@]([C@](C(N1Cc2cc3ccccc3nc2C1)=O)(C(=O)OC)[H])(CC(N1CCCC1)=O)[H]
SPLASH splash10-014i-0900000000-d198473a3d69d7ba7a95
Source of Spectrum F-36-326-0
Synonyms Methyl (2R,3R)-2-(1,3-dihydro-2H-pyrrolo[3,4-b]quinolin-2-ylcarbonyl)-3-(hydroxymethyl)-5-oxo-5-(1-pyrrolidinyl)pentanoate Methyl 2,3-dihydro-.alpha.-[1-(hydroxymethyl)-3-oxo-3-(1-pyrrolidinyl)propyl]-.beta.-oxo-1H-pyrrolo[3,4-b]quinoline-2-propionate
Wiley ID 1379644