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2-Oxa-11,14-diazatricyclo[15.2.2.13,7]docosa-3,5,7(22),17,19,20-hexaene-12-acetamide, 10,13-dioxo-, (S)-
SpectraBase Compound ID DP8yT2K75ut
InChI InChI=1S/C21H23N3O4/c22-19(25)13-18-21(27)23-11-10-14-4-7-16(8-5-14)28-17-3-1-2-15(12-17)6-9-20(26)24-18/h1-5,7-8,12,18H,6,9-11,13H2,(H2,22,25)(H,23,27)(H,24,26)/t18-/m0/s1
InChIKey UNIFJDJCDPRQOI-SFHVURJKSA-N
Mol Weight 381.43 g/mol
Molecular Formula C21H23N3O4
Exact Mass 381.168856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FkxFEoEFBvq
Name 2-Oxa-11,14-diazatricyclo[15.2.2.13,7]docosa-3,5,7(22),17,19,20-hexaene-12-acetamide, 10,13-dioxo-, (S)-
CAS Registry Number 127559-29-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3O4
InChI InChI=1S/C21H23N3O4/c22-19(25)13-18-21(27)23-11-10-14-4-7-16(8-5-14)28-17-3-1-2-15(12-17)6-9-20(26)24-18/h1-5,7-8,12,18H,6,9-11,13H2,(H2,22,25)(H,23,27)(H,24,26)/t18-/m0/s1
InChIKey UNIFJDJCDPRQOI-SFHVURJKSA-N
Molecular Weight 381.432 g/mol
SMILES N1C(CCc2cc(Oc3ccc(CCNC([C@@]1(CC(=O)N)[H])=O)cc3)ccc2)=O
SPLASH splash10-001i-0019000000-3ec02b8ecea7d6dc9f3a
Source of Spectrum J-55-6011-102
Synonyms (S)-12-(2-amino-2-oxoethyl)-10,13-dioxo-2-oxa-11,14-diazatricyclo[15.2.2.1]dioxo-2-oxa-11,14-diazatricyclo[15.2.2.1]docosa-3,5,7(22),17,19,20-hexaene 2-[(12S)-10,13-dioxo-2-oxa-11,14-diazatricyclo[15.2.2.1(3,7)]docosa-1(19),3(22),4,6,17,20-hexaen-12-yl]acetamide
Wiley ID 1360199