(3S)-1-[(Methylsulfanyl)acetyl]-3-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-L-prolyl-D-phenylalaninamide

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Systematic / IUPAC Name: (2S,3S)-N-[(2R)-1-Amino-1-oxo-3-phenylpropan-2-yl]-1-(2-methylsulfanylacetyl)-3-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide

ID: Reference12296

Other Names: D-Phenylalaninamide, (3S)-1-[2-(methylthio)acetyl]-3-[[[[3-(methylthio)phenyl]amino]carbonyl]amino]-L-prolyl-;
NAT3-177955

Formula: C25H31N5O4S2

Spectral Data

(3S)-1-[(Methylsulfanyl)acetyl]-3-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-L-prolyl-D-phenylalaninamide 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 3064
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/20/2023 4:45:25 PM
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Identificators

InChI InChI=1S/C25H31N5O4S2/c1-35-15-21(31)30-12-11-19(29-25(34)27-17-9-6-10-18(14-17)36-2)22(30)24(33)28-20(23(26)32)13-16-7-4-3-5-8-16/h3-10,14,19-20,22H,11-13,15H2,1-2H3,(H2,26,32)(H,28,33)(H2,27,29,34)/t19-,20+,22-/m0/s1
InChI Key NBADJLMDNHFSOA-VWPQPMDRSA-N
Canonical SMILES CSCC(=O)N1CCC(C1C(=O)NC(CC2=CC=CC=C2)C(=O)N)NC(=O)NC3=CC(=CC=C3)SC
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Other Names D-Phenylalaninamide, (3S)-1-[2-(methylthio)acetyl]-3-[[[[3-(methylthio)phenyl]amino]carbonyl]amino]-L-prolyl-;
NAT3-177955

In Other Databases

PubChem 11882080
ChemSpider 10056408