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2-Amino-N-PYRROL4-[4-(2-amino-3-methyl-butyrylamino)-phenoxy]-phenylmorpho-3-methyl-butyramide

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2-Amino-N-PYRROL4-[4-(2-amino-3-methyl-butyrylamino)-phenoxy]-phenylmorpho-3-methyl-butyramide
SpectraBase Compound ID Hk6gse0Fn2e
InChI InChI=1S/C22H30N4O3/c1-13(2)19(23)21(27)25-15-5-9-17(10-6-15)29-18-11-7-16(8-12-18)26-22(28)20(24)14(3)4/h5-14,19-20H,23-24H2,1-4H3,(H,25,27)(H,26,28)
InChIKey QCKAIYXSDLISPJ-UHFFFAOYSA-N
Mol Weight 398.51 g/mol
Molecular Formula C22H30N4O3
Exact Mass 398.231791 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2zBKK9n6D1a
Name 2-Amino-N-PYRROL4-[4-(2-amino-3-methyl-butyrylamino)-phenoxy]-phenylmorpho-3-methyl-butyramide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 398.231790839 u
Formula C22H30N4O3
InChI InChI=1S/C22H30N4O3/c1-13(2)19(23)21(27)25-15-5-9-17(10-6-15)29-18-11-7-16(8-12-18)26-22(28)20(24)14(3)4/h5-14,19-20H,23-24H2,1-4H3,(H,25,27)(H,26,28)
InChIKey QCKAIYXSDLISPJ-UHFFFAOYSA-N
Molecular Weight 398.507 g/mol
SMILES C(NC=1C=CC(OC=2C=CC(NC(C(N)C(C)C)=O)=CC2)=CC1)(C(N)C(C)C)=O