(2S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]-4-[4-(dimethylamino)benzoyl]-1-(2-thienylcarbonyl)-2-piperazinecarboxamide

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Systematic / IUPAC Name: (2S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[4-(dimethylamino)benzoyl]-1-(thiophene-2-carbonyl)piperazine-2-carboxamide

ID: Reference11778

Other Names: NAT9-312570

Formula: C28H37N5O4S

Spectral Data

(2S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]-4-[4-(dimethylamino)benzoyl]-1-(2-thienylcarbonyl)-2-piperazinecarboxamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Fusion Lumos with ETD LBP
No. of Spectral Trees 1
No. of Spectra 1225
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/23/2022 6:20:13 AM
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Identificators

InChI InChI=1S/C28H37N5O4S/c1-31(2)21-12-10-20(11-13-21)27(36)32-14-15-33(28(37)24-9-6-16-38-24)23(18-32)26(35)30-22(25(29)34)17-19-7-4-3-5-8-19/h6,9-13,16,19,22-23H,3-5,7-8,14-15,17-18H2,1-2H3,(H2,29,34)(H,30,35)/t22-,23-/m0/s1
InChI Key LYQCLIHXPHRXQM-GOTSBHOMSA-N
Canonical SMILES CN(C)C1=CC=C(C=C1)C(=O)N2CCN(C(C2)C(=O)NC(CC3CCCCC3)C(=O)N)C(=O)C4=CC=CS4
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Other Names NAT9-312570

In Other Databases

PubChem 7113406
ChemSpider 5459482