[(2-{(2S,4S)-2-{[(2R)-1-Amino-1-oxo-3-phenyl-2-propanyl]carbamoyl}-4-[(2-pyrazinylcarbonyl)amino]-1-piperidinyl}-2-oxoethyl)sulfanyl]acetic acid

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Systematic / IUPAC Name: 2-[2-[(2S,4S)-2-[[(2R)-1-Amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-4-(pyrazine-2-carbonylamino)piperidin-1-yl]-2-oxoethyl]sulfanylacetic acid

ID: Reference10216

Other Names: Acetic acid, 2-[[2-[(2S,4S)-2-[[[(1R)-2-amino-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-4-[(2-pyrazinylcarbonyl)amino]-1-piperidinyl]-2-oxoethyl]thio]-;
NAT7-242474

Formula: C24H28N6O6S

Spectral Data

[(2-{(2S,4S)-2-{[(2R)-1-Amino-1-oxo-3-phenyl-2-propanyl]carbamoyl}-4-[(2-pyrazinylcarbonyl)amino]-1-piperidinyl}-2-oxoethyl)sulfanyl]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 1247
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers FT
Last Modification 1/29/2021 2:51:08 PM
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Identificators

InChI InChI=1S/C24H28N6O6S/c25-22(34)17(10-15-4-2-1-3-5-15)29-24(36)19-11-16(28-23(35)18-12-26-7-8-27-18)6-9-30(19)20(31)13-37-14-21(32)33/h1-5,7-8,12,16-17,19H,6,9-11,13-14H2,(H2,25,34)(H,28,35)(H,29,36)(H,32,33)/t16-,17+,19-/m0/s1
InChI Key FEKKMKRMTVJUGL-SCTDSRPQSA-N
Canonical SMILES C1CN(C(CC1NC(=O)C2=NC=CN=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)N)C(=O)CSCC(=O)O
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Other Names Acetic acid, 2-[[2-[(2S,4S)-2-[[[(1R)-2-amino-2-oxo-1-(phenylmethyl)ethyl]amino]carbonyl]-4-[(2-pyrazinylcarbonyl)amino]-1-piperidinyl]-2-oxoethyl]thio]-;
NAT7-242474

In Other Databases

ChemSpider 29857265
PubChem 45783250