(4S)-4-[(Isopropylcarbamoyl)amino]-1-[(methylsulfanyl)acetyl]-L-prolyl-D-tryptophanamide

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Systematic / IUPAC Name: (2S,4S)-N-[(2R)-1-Amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-(2-methylsulfanylacetyl)-4-(propan-2-ylcarbamoylamino)pyrrolidine-2-carboxamide

ID: Reference12022

Other Names: NAT3-155411

Formula: C23H32N6O4S

Spectral Data

(4S)-4-[(Isopropylcarbamoyl)amino]-1-[(methylsulfanyl)acetyl]-L-prolyl-D-tryptophanamide 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 2840
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/5/2022 9:31:19 AM
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Identificators

InChI InChI=1S/C23H32N6O4S/c1-13(2)26-23(33)27-15-9-19(29(11-15)20(30)12-34-3)22(32)28-18(21(24)31)8-14-10-25-17-7-5-4-6-16(14)17/h4-7,10,13,15,18-19,25H,8-9,11-12H2,1-3H3,(H2,24,31)(H,28,32)(H2,26,27,33)/t15-,18+,19-/m0/s1
InChI Key HLLJIOMJVCELAY-IPELMVKDSA-N
Canonical SMILES CC(C)NC(=O)NC1CC(N(C1)C(=O)CSC)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N
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Other Names NAT3-155411

In Other Databases

ChemSpider 5471729
PubChem 7127944