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(S)-Methyl 2-(2-benzylhydrazinecarboxamido)-3-(1H-indol-3-yl)propanoate
SpectraBase Compound ID 5OAebK6Av2x
InChI InChI=1S/C20H22N4O3/c1-27-19(25)18(11-15-13-21-17-10-6-5-9-16(15)17)23-20(26)24-22-12-14-7-3-2-4-8-14/h2-10,13,18,21-22H,11-12H2,1H3,(H2,23,24,26)/t18-/m0/s1
InChIKey DUVKJVXVFOUFEN-SFHVURJKSA-N
Mol Weight 366.42 g/mol
Molecular Formula C20H22N4O3
Exact Mass 366.169191 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7ISVR3ZjO4D
Name (S)-Methyl 2-(2-benzylhydrazinecarboxamido)-3-(1H-indol-3-yl)propanoate
Comments Computed using HOSE algorithm
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Exact Mass 366.169190581 u
Formula C20H22N4O3
InChI InChI=1S/C20H22N4O3/c1-27-19(25)18(11-15-13-21-17-10-6-5-9-16(15)17)23-20(26)24-22-12-14-7-3-2-4-8-14/h2-10,13,18,21-22H,11-12H2,1H3,(H2,23,24,26)/t18-/m0/s1
InChIKey DUVKJVXVFOUFEN-SFHVURJKSA-N
Molecular Weight 366.421 g/mol
SMILES C1=C2NC=C(C2=CC=C1)C[C@](NC(NNCC1=CC=CC=C1)=O)(C(OC)=O)[H]