(2R)-3-oxidanylidene-2-[[3-oxidanylidene-3-(4-propan-2-yloxyphenyl)propyl]azaniumyl]butanoate

Systemtic Name: (2R)-3-oxidanylidene-2-[[3-oxidanylidene-3-(4-propan-2-yloxyphenyl)propyl]azaniumyl]butanoate Openeye Name: (2R)-2-[[3-(4-isopropoxyphenyl)-3-oxo-propyl]ammonio]-3-oxo-butanoate CAS Name: (2R)-3-oxo-2-[[3-oxo-3-(4-propan-2-yloxyphenyl)propyl]ammonio]butanoate IUPAC Name: (2R)-3-oxo-2-[[3-oxo-3-(4-propan-2-yloxyphenyl)propyl]azaniumyl]butanoate Traditional Name: (2R)-2-[[3-(4-isopropoxyphenyl)-3-keto-propyl]ammonio]-3-keto-butyrate Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C(=O)CC[NH2+]C(C(=O)C)C(=O)[O-]

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C(=O)CC[NH2+][C@H](C(=O)C)C(=O)[O-]

InChI

InChI=1S/C16H21NO5/c1-10(2)22-13-6-4-12(5-7-13)14(19)8-9-17-15(11(3)18)16(20)21/h4-7,10,15,17H,8-9H2,1-3H3,(H,20,21)/t15-/m1/s1