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Butanamide, 2-(dimethylamino)-N-[7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-3-methyl-, [3R-[3R*,4S*(S*),7S*]]-
SpectraBase Compound ID HOP34Xp9IeP
InChI InChI=1S/C35H39N5O4/c1-22(2)31(40(3)4)35(43)39-30-32(24-10-6-5-7-11-24)44-26-16-14-23(15-17-26)18-19-36-33(41)29(38-34(30)42)20-25-21-37-28-13-9-8-12-27(25)28/h5-19,21-22,29-32,37H,20H2,1-4H3,(H,36,41)(H,38,42)(H,39,43)/b19-18-
InChIKey BDHCXPWIDHVEQN-HNENSFHCSA-N
Mol Weight 593.7 g/mol
Molecular Formula C35H39N5O4
Exact Mass 593.300205 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3P2YWggZJAn
Name Butanamide, 2-(dimethylamino)-N-[7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-10,12,14,15-tetraen-4-yl]-3-methyl-, [3R-[3R*,4S*(S*),7S*]]-
CAS Registry Number 18397-13-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H39N5O4
InChI InChI=1S/C35H39N5O4/c1-22(2)31(40(3)4)35(43)39-30-32(24-10-6-5-7-11-24)44-26-16-14-23(15-17-26)18-19-36-33(41)29(38-34(30)42)20-25-21-37-28-13-9-8-12-27(25)28/h5-19,21-22,29-32,37H,20H2,1-4H3,(H,36,41)(H,38,42)(H,39,43)/b19-18-
InChIKey BDHCXPWIDHVEQN-HNENSFHCSA-N
Molecular Weight 593.728 g/mol
SMILES N(C(C(C(C)C)N(C)C)=O)C1C(NC(Cc2c[nH]c3ccccc23)C(N\C=C/c2ccc(OC1c1ccccc1)cc2)=O)=O
SPLASH splash10-0udi-2900000000-8ab49f5e3930b4f98076
Source of Spectrum AD-0-1174-0
Synonyms 2-(Dimethylamino)-N-[7-(1H-indol-3-ylmethyl)-5,8-dioxo-3-phenyl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-methylbutanamide 2-(dimethylamino)-N-[(2Z)-6-(1H-indol-3-ylmethyl)-5,8-bis(oxidanylidene)-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-methyl-butanamide 2-(dimethylamino)-N-[(2Z)-6-(1H-indol-3-ylmethyl)-5,8-diketo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-methyl-butyramide 2-(dimethylamino)-N-[(2Z)-6-(1H-indol-3-ylmethyl)-5,8-dioxo-10-phenyl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-3-methyl-butanamide Integerrine
Wiley ID 65136