(4S)-1-[(1-Methyl-1H-pyrrol-2-yl)carbonyl]-4-({[3-(methylsulfanyl)phenyl]carbamoyl}amino)-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-(1-methylpyrrole-2-carbonyl)-4-[(3-methylsulfanylphenyl)carbamoylamino]pyrrolidine-2-carboxamide

ID: Reference12256

Other Names: D-Tryptophanamide, (4S)-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-4-[[[[3-(methylthio)phenyl]amino]carbonyl]amino]-L-prolyl-;
NAT3-155434

Formula: C30H33N7O4S

Spectral Data

(4S)-1-[(1-Methyl-1H-pyrrol-2-yl)carbonyl]-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 2277
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 2/14/2023 10:14:52 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C30H33N7O4S/c1-36-12-6-11-25(36)29(40)37-17-20(34-30(41)33-19-7-5-8-21(14-19)42-2)15-26(37)28(39)35-24(27(31)38)13-18-16-32-23-10-4-3-9-22(18)23/h3-12,14,16,20,24,26,32H,13,15,17H2,1-2H3,(H2,31,38)(H,35,39)(H2,33,34,41)/t20-,24+,26-/m0/s1
InChI Key KNGRNDGWGDFVGN-KHMOSXFSSA-N
Canonical SMILES CN1C=CC=C1C(=O)N2CC(CC2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)NC(=O)NC5=CC(=CC=C5)SC
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Other Names D-Tryptophanamide, (4S)-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-4-[[[[3-(methylthio)phenyl]amino]carbonyl]amino]-L-prolyl-;
NAT3-155434

In Other Databases

ChemSpider 10056360
PubChem 11882032