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Leucine, N-(N-carboxy-l-leucyl)-, N-benzyl p-nitrobenzyl ester, d-
SpectraBase Compound ID 16Gil9HzLuz
InChI InChI=1S/C27H35N3O7/c1-18(2)14-23(29-27(33)37-17-20-8-6-5-7-9-20)25(31)28-24(15-19(3)4)26(32)36-16-21-10-12-22(13-11-21)30(34)35/h5-13,18-19,23-24H,14-17H2,1-4H3,(H,28,31)(H,29,33)
InChIKey PIOMVNNMECZJLD-UHFFFAOYSA-N
Mol Weight 513.6 g/mol
Molecular Formula C27H35N3O7
Exact Mass 513.2475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dc8NSXbBcdK
Name Leucine, N-(N-carboxy-L-leucyl)-, N-benzyl p-nitrobenzyl ester, D-
Comments Computed using HOSE algorithm
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Exact Mass 513.247500472 u
Formula C27H35N3O7
InChI InChI=1S/C27H35N3O7/c1-18(2)14-23(29-27(33)37-17-20-8-6-5-7-9-20)25(31)28-24(15-19(3)4)26(32)36-16-21-10-12-22(13-11-21)30(34)35/h5-13,18-19,23-24H,14-17H2,1-4H3,(H,28,31)(H,29,33)
InChIKey PIOMVNNMECZJLD-UHFFFAOYSA-N
Molecular Weight 513.591 g/mol
SMILES CC(CC(C(OCC=1C=CC(N(=O)=O)=CC1)=O)NC(=O)C(CC(C)C)NC(OCC=1C=CC=CC1)=O)C