3-azanyl-4-[chloranyl-(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[chloranyl-(1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[(1-benzyl-2-methoxy-2-oxo-ethyl)-chloro-amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[chloro-(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[chloro-(1-methoxy-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[(1-benzyl-2-keto-2-methoxy-ethyl)-chloro-amino]-4-keto-butyric acid Formula: C14H17ClN2O5 MolecularWeight: 328.74818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CC(=O)O)N)Cl

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)N(C(=O)C(CC(=O)O)N)Cl

InChI

InChI=1S/C14H17ClN2O5/c1-22-14(21)11(7-9-5-3-2-4-6-9)17(15)13(20)10(16)8-12(18)19/h2-6,10-11H,7-8,16H2,1H3,(H,18,19)