[(16R,17S)-8-{[2-(Dimethylamino)ethyl](methyl)amino}-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10-trien-17-yl]acetic acid

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Systematic / IUPAC Name: 2-[(16R,17S)-8-[2-(Dimethylamino)ethyl-methylamino]-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6(11),7,9-trien-17-yl]acetic acid

ID: Reference12885

Other Names: MC14-529727

Formula: C24H38N4O4

Spectral Data

[(16R,17S)-8-{[2-(Dimethylamino)ethyl](methyl)amino}-2-oxo-12-oxa-1,4-diazatricyclo[14.3.1.06,11]icosa-6,8,10-trien-17-yl]acetic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1765
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/16/2023 9:34:22 AM
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Identificators

InChI InChI=1S/C24H38N4O4/c1-26(2)10-11-27(3)21-6-7-22-20(13-21)15-25-16-23(29)28-9-8-18(14-24(30)31)19(17-28)5-4-12-32-22/h6-7,13,18-19,25H,4-5,8-12,14-17H2,1-3H3,(H,30,31)/t18-,19-/m0/s1
InChI Key HDLYJCIQCTWSIQ-OALUTQOASA-N
Canonical SMILES CN(C)CCN(C)C1=CC2=C(C=C1)OCCCC3CN(CCC3CC(=O)O)C(=O)CNC2
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Other Names MC14-529727

In Other Databases

PubChem 56776145
ChemSpider 64875122