(4S)-4-[(Cyclohexylcarbamoyl)amino]-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-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]-4-(cyclohexylcarbamoylamino)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide

ID: Reference11994

Other Names: NAT3-155428

Formula: C29H37N7O4

Spectral Data

(4S)-4-[(Cyclohexylcarbamoyl)amino]-1-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-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 2515
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 11/25/2022 5:14:07 PM
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Identificators

InChI InChI=1S/C29H37N7O4/c1-35-13-7-12-24(35)28(39)36-17-20(33-29(40)32-19-8-3-2-4-9-19)15-25(36)27(38)34-23(26(30)37)14-18-16-31-22-11-6-5-10-21(18)22/h5-7,10-13,16,19-20,23,25,31H,2-4,8-9,14-15,17H2,1H3,(H2,30,37)(H,34,38)(H2,32,33,40)/t20-,23+,25-/m0/s1
InChI Key LYDBQEAGPVQGGA-ZWSUVBHBSA-N
Canonical SMILES CN1C=CC=C1C(=O)N2CC(CC2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)NC(=O)NC5CCCCC5
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Other Names NAT3-155428

In Other Databases

PubChem 11882029
ChemSpider 10056357