(2S,4S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]-4-{[(3-fluorophenyl)carbamoyl]amino}-1-(D-prolyl)-2-piperidinecarboxamide

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Systematic / IUPAC Name: (2S,4S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxopropan-2-yl]-4-[(3-fluorophenyl)carbamoylamino]-1-[(2R)-pyrrolidine-2-carbonyl]piperidine-2-carboxamide

ID: Reference11777

Other Names: NAT7-255833

Formula: C27H39FN6O4

Spectral Data

(2S,4S)-N-[(2S)-1-Amino-3-cyclohexyl-1-oxo-2-propanyl]-4-{[(3-fluorophenyl)carbamoyl]amino}-1-(D-prolyl)-2-piperidinecarboxamide 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 2293
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers FT
Last Modification 9/23/2022 6:19:18 AM
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Identificators

InChI InChI=1S/C27H39FN6O4/c28-18-8-4-9-19(15-18)31-27(38)32-20-11-13-34(26(37)21-10-5-12-30-21)23(16-20)25(36)33-22(24(29)35)14-17-6-2-1-3-7-17/h4,8-9,15,17,20-23,30H,1-3,5-7,10-14,16H2,(H2,29,35)(H,33,36)(H2,31,32,38)/t20-,21+,22-,23-/m0/s1
InChI Key XEDBBXGCKAWUIS-BJESRGMDSA-N
Canonical SMILES C1CCC(CC1)CC(C(=O)N)NC(=O)C2CC(CCN2C(=O)C3CCCN3)NC(=O)NC4=CC(=CC=C4)F
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Other Names NAT7-255833

In Other Databases

PubChem 7134574
ChemSpider 5477790