(2S)-3-methyl-2-[2-[3-oxidanyl-4-(2-phenoxyethanoyl)phenoxy]ethanoylamino]butanoate

Systemtic Name: (2S)-3-methyl-2-[2-[3-oxidanyl-4-(2-phenoxyethanoyl)phenoxy]ethanoylamino]butanoate Openeye Name: (2S)-2-[[2-[3-hydroxy-4-(2-phenoxyacetyl)phenoxy]acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[3-hydroxy-4-(1-oxo-2-phenoxyethyl)phenoxy]-1-oxoethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[[2-[3-hydroxy-4-(2-phenoxyacetyl)phenoxy]acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[3-hydroxy-4-(2-phenoxyacetyl)phenoxy]acetyl]amino]-3-methyl-butyrate Formula: C21H22NO7- MolecularWeight: 400.40188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)COC1=CC(=C(C=C1)C(=O)COC2=CC=CC=C2)O

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)COC1=CC(=C(C=C1)C(=O)COC2=CC=CC=C2)O

InChI

InChI=1S/C21H23NO7/c1-13(2)20(21(26)27)22-19(25)12-29-15-8-9-16(17(23)10-15)18(24)11-28-14-6-4-3-5-7-14/h3-10,13,20,23H,11-12H2,1-2H3,(H,22,25)(H,26,27)/p-1/t20-/m0/s1