methyl (2S)-2-[[(2R,3S)-3-azanyl-2-(4-bromophenyl)oxolan-3-yl]carbonylamino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2R,3S)-3-azanyl-2-(4-bromophenyl)oxolan-3-yl]carbonylamino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2R,3S)-3-amino-2-(4-bromophenyl)tetrahydrofuran-3-carbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[[(2R,3S)-3-amino-2-(4-bromophenyl)-3-oxolanyl]-oxomethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R,3S)-3-amino-2-(4-bromophenyl)oxolane-3-carbonyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2R,3S)-3-amino-2-(4-bromophenyl)tetrahydrofuran-3-carbonyl]amino]-3-methyl-butyric acid methyl ester Formula: C17H23BrN2O4 MolecularWeight: 399.27952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1(CCOC1C2=CC=C(C=C2)Br)N

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)[C@@]1(CCO[C@@H]1C2=CC=C(C=C2)Br)N

InChI

InChI=1S/C17H23BrN2O4/c1-10(2)13(15(21)23-3)20-16(22)17(19)8-9-24-14(17)11-4-6-12(18)7-5-11/h4-7,10,13-14H,8-9,19H2,1-3H3,(H,20,22)/t13-,14+,17-/m0/s1