(3S)-3-azanyl-4-[[(2S)-3-(4-ethoxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[(2S)-3-(4-ethoxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[[(1S)-1-[(4-ethoxyphenyl)methyl]-2-hydroxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[(2S)-3-(4-ethoxyphenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[(2S)-3-(4-ethoxyphenyl)-1-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[[(1S)-1-(4-ethoxybenzyl)-2-hydroxy-2-keto-ethyl]amino]-4-keto-butyric acid Formula: C15H20N2O6 MolecularWeight: 324.3291

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C15H20N2O6/c1-2-23-10-5-3-9(4-6-10)7-12(15(21)22)17-14(20)11(16)8-13(18)19/h3-6,11-12H,2,7-8,16H2,1H3,(H,17,20)(H,18,19)(H,21,22)/t11-,12-/m0/s1