(4S)-1-[(Methylsulfanyl)acetyl]-4-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-L-prolyl-D-tryptophanamide

enlarge

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

ID: Reference12011

Other Names: NAT3-155435

Formula: C27H32N6O4S2

Spectral Data

(4S)-1-[(Methylsulfanyl)acetyl]-4-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-L-prolyl-D-tryptophanamide 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 2827
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 12/2/2022 8:33:37 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C27H32N6O4S2/c1-38-15-24(34)33-14-18(31-27(37)30-17-6-5-7-19(11-17)39-2)12-23(33)26(36)32-22(25(28)35)10-16-13-29-21-9-4-3-8-20(16)21/h3-9,11,13,18,22-23,29H,10,12,14-15H2,1-2H3,(H2,28,35)(H,32,36)(H2,30,31,37)/t18-,22+,23-/m0/s1
InChI Key AXAXPIHMIVGZHP-NMNUPHIUSA-N
Canonical SMILES CSCC(=O)N1CC(CC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)N)NC(=O)NC4=CC(=CC=C4)SC
CAS
Splash
Other Names NAT3-155435

In Other Databases

ChemSpider 10056361
PubChem 11882033