(2S)-4-azanyl-2-[2-(4-chloranylphenoxy)ethanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (2S)-4-azanyl-2-[2-(4-chloranylphenoxy)ethanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[2-(4-chlorophenoxy)acetyl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[[2-(4-chlorophenoxy)acetyl]amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-2-[[2-(4-chlorophenoxy)acetyl]amino]-4-keto-butyric acid Formula: C12H13ClN2O5 MolecularWeight: 300.69502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(=O)NC(CC(=O)N)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1OCC(=O)N[C@@H](CC(=O)N)C(=O)O)Cl

InChI

InChI=1S/C12H13ClN2O5/c13-7-1-3-8(4-2-7)20-6-11(17)15-9(12(18)19)5-10(14)16/h1-4,9H,5-6H2,(H2,14,16)(H,15,17)(H,18,19)/t9-/m0/s1