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

Systemtic Name: (3S)-3-azanyl-4-[[(2S)-3-(4-methoxyphenyl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[[(1S)-2-hydroxy-1-[(4-methoxyphenyl)methyl]-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[(2S)-1-hydroxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[(2S)-1-hydroxy-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[[(1S)-2-hydroxy-2-keto-1-p-anisyl-ethyl]amino]-4-keto-butyric acid Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C14H18N2O6/c1-22-9-4-2-8(3-5-9)6-11(14(20)21)16-13(19)10(15)7-12(17)18/h2-5,10-11H,6-7,15H2,1H3,(H,16,19)(H,17,18)(H,20,21)/t10-,11-/m0/s1