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(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)-N-[(2Z,6S,9S,10S)-10-isopropyl-5,8-diketo-6-[(1S)-1-methylpropyl]-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]propionamide

View entire compound with spectra: 1 MS (GC)

(2S)-2-(dimethylamino)-3-(1H-indol-3-yl)-N-[(2Z,6S,9S,10S)-10-isopropyl-5,8-diketo-6-[(1S)-1-methylpropyl]-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]propionamide
SpectraBase Compound ID Jbe28m8FAjH
InChI InChI=1S/C33H43N5O4/c1-7-21(4)28-32(40)34-17-16-22-12-14-24(15-13-22)42-30(20(2)3)29(33(41)36-28)37-31(39)27(38(5)6)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,40)(H,36,41)(H,37,39)/b17-16-/t21-,27-,28-,29-,30-/m0/s1
InChIKey ZNUMAFXIQXNMMH-UZFRKIFNSA-N
Mol Weight 573.7 g/mol
Molecular Formula C33H43N5O4
Exact Mass 573.331505 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Ymh62XA2S9
Name (2S)-2-(dimethylamino)-3-(1H-indol-3-yl)-N-[(2Z,6S,9S,10S)-10-isopropyl-5,8-diketo-6-[(1S)-1-methylpropyl]-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]propionamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H43N5O4
InChI InChI=1S/C33H43N5O4/c1-7-21(4)28-32(40)34-17-16-22-12-14-24(15-13-22)42-30(20(2)3)29(33(41)36-28)37-31(39)27(38(5)6)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,40)(H,36,41)(H,37,39)/b17-16-/t21-,27-,28-,29-,30-/m0/s1
InChIKey ZNUMAFXIQXNMMH-UZFRKIFNSA-N
Molecular Weight 573.738 g/mol
SMILES N1[C@](C(N\C=C/c2ccc(O[C@]([C@@](C1=O)(NC([C@](Cc1c[nH]c3c1cccc3)(N(C)C)[H])=O)[H])(C(C)C)[H])cc2)=O)([C@](CC)(C)[H])[H]
SPLASH splash10-000i-1900000000-0e406963a0b4fe251e0e
Source of Spectrum CD-248-0-0
Synonyms (2S)-2-(dimethylamino)-3-(1H-indol-3-yl)-N-[(2Z,6S,9S,10S)-10-isopropyl-6-[(1S)-1-methylpropyl]-5,8-dioxo-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]propanamide (2S)-N-[(2Z,6S,9S,10S)-6-[(2S)-butan-2-yl]-5,8-bis(oxidanylidene)-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-2-(dimethylamino)-3-(1H-indol-3-yl)propanamide (2S)-N-[(2Z,6S,9S,10S)-6-[(2S)-butan-2-yl]-5,8-dioxo-10-propan-2-yl-11-oxa-4,7-diazabicyclo[10.2.2]hexadeca-1(14),2,12,15-tetraen-9-yl]-2-(dimethylamino)-3-(1H-indol-3-yl)propanamide
Wiley ID 1407955