(4-nitrophenyl)methyl (2S)-3-methyl-2-[[(2R,3R)-3-sulfanyloxolan-2-yl]methylamino]butanoate

Systemtic Name: (4-nitrophenyl)methyl (2S)-3-methyl-2-[[(2R,3R)-3-sulfanyloxolan-2-yl]methylamino]butanoate Openeye Name: (4-nitrophenyl)methyl (2S)-3-methyl-2-[[(2R,3R)-3-sulfanyltetrahydrofuran-2-yl]methylamino]butanoate CAS Name: (2S)-2-[[(2R,3R)-3-mercapto-2-oxolanyl]methylamino]-3-methylbutanoic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S)-3-methyl-2-[[(2R,3R)-3-sulfanyloxolan-2-yl]methylamino]butanoate Traditional Name: (2S)-2-[[(2R,3R)-3-mercaptotetrahydrofuran-2-yl]methylamino]-3-methyl-butyric acid (4-nitrobenzyl) ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NCC2C(CCO2)S

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=C(C=C1)[N+](=O)[O-])NC[C@@H]2[C@@H](CCO2)S

InChI

InChI=1S/C17H24N2O5S/c1-11(2)16(18-9-14-15(25)7-8-23-14)17(20)24-10-12-3-5-13(6-4-12)19(21)22/h3-6,11,14-16,18,25H,7-10H2,1-2H3/t14-,15-,16+/m1/s1