(2R)-2-azanyl-3-[4-methoxy-1,4-bis(oxidanylidene)-1-phenylazanyl-butan-2-yl]sulfanyl-propanoic acid

Systemtic Name: (2R)-2-azanyl-3-[4-methoxy-1,4-bis(oxidanylidene)-1-phenylazanyl-butan-2-yl]sulfanyl-propanoic acid Openeye Name: (2R)-2-amino-3-[3-methoxy-3-oxo-1-(phenylcarbamoyl)propyl]sulfanyl-propanoic acid CAS Name: (2R)-2-amino-3-[(1-anilino-4-methoxy-1,4-dioxobutan-2-yl)thio]propanoic acid IUPAC Name: (2R)-2-amino-3-(1-anilino-4-methoxy-1,4-dioxobutan-2-yl)sulfanylpropanoic acid Traditional Name: (2R)-2-amino-3-[[3-keto-3-methoxy-1-(phenylcarbamoyl)propyl]thio]propionic acid Formula: C14H18N2O5S MolecularWeight: 326.36812

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C(=O)NC1=CC=CC=C1)SCC(C(=O)O)N

Isomeric SMILES

COC(=O)CC(C(=O)NC1=CC=CC=C1)SC[C@@H](C(=O)O)N

InChI

InChI=1S/C14H18N2O5S/c1-21-12(17)7-11(22-8-10(15)14(19)20)13(18)16-9-5-3-2-4-6-9/h2-6,10-11H,7-8,15H2,1H3,(H,16,18)(H,19,20)/t10-,11?/m0/s1