5-{[(2S,11aS)-8-Chloro-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]amino}-3,3-dimethyl-5-oxopentanoic acid

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Systematic / IUPAC Name: 5-[[(6aS,8S)-3-Chloro-6,11-dioxo-6a,7,8,9-tetrahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl]amino]-3,3-dimethyl-5-oxopentanoic acid

ID: Reference10956

Other Names: NAT3-328490

Formula: C19H22ClN3O5

Spectral Data

5-{[(2S,11aS)-8-Chloro-5,11-dioxo-2,3,5,10,11,11a-hexahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-2-yl]amino}-3,3-dimethyl-5-oxopentanoic 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 2204
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 10/21/2021 8:42:20 AM
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Identificators

InChI InChI=1S/C19H22ClN3O5/c1-19(2,8-16(25)26)7-15(24)21-11-6-14-17(27)22-13-5-10(20)3-4-12(13)18(28)23(14)9-11/h3-5,11,14H,6-9H2,1-2H3,(H,21,24)(H,22,27)(H,25,26)/t11-,14-/m0/s1
InChI Key PAYHBPWPAIBGNL-FZMZJTMJSA-N
Canonical SMILES CC(C)(CC(=O)NC1CC2C(=O)NC3=C(C=CC(=C3)Cl)C(=O)N2C1)CC(=O)O
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Other Names NAT3-328490

In Other Databases

ChemSpider 21383752
PubChem 40781693