O-Methyl-nalpha-({(2S,4S)-1-(N-methyl-L-alanyl)-4-[(2-thienylacetyl)amino]-2-piperidinyl}carbonyl)-L-tyrosinamide

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Systematic / IUPAC Name: (2S,4S)-N-[(2S)-1-Amino-3-(4-methoxyphenyl)-1-oxopropan-2-yl]-1-[(2S)-2-(methylamino)propanoyl]-4-[(2-thiophen-2-ylacetyl)amino]piperidine-2-carboxamide

ID: Reference12062

Other Names: NAT7-255898

Formula: C26H35N5O5S

Spectral Data

O-Methyl-nalpha-({(2S,4S)-1-(N-methyl-L-alanyl)-4-[(2-thienylacetyl)amino]-2-piperidinyl}carbonyl)-L-tyrosinamide 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 1995
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/16/2022 8:44:59 AM
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Identificators

InChI InChI=1S/C26H35N5O5S/c1-16(28-2)26(35)31-11-10-18(29-23(32)15-20-5-4-12-37-20)14-22(31)25(34)30-21(24(27)33)13-17-6-8-19(36-3)9-7-17/h4-9,12,16,18,21-22,28H,10-11,13-15H2,1-3H3,(H2,27,33)(H,29,32)(H,30,34)/t16-,18-,21-,22-/m0/s1
InChI Key DQPXLRTZJLJOKB-DBXVSBKESA-N
Canonical SMILES CC(C(=O)N1CCC(CC1C(=O)NC(CC2=CC=C(C=C2)OC)C(=O)N)NC(=O)CC3=CC=CS3)NC
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Other Names NAT7-255898

In Other Databases

ChemSpider 10056935
PubChem 11882607