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

Systemtic Name: (2S)-4-methyl-2-[2-[3-oxidanyl-4-(2-phenoxyethanoyl)phenoxy]ethanoylamino]pentanoate Openeye Name: (2S)-2-[[2-[3-hydroxy-4-(2-phenoxyacetyl)phenoxy]acetyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[2-[3-hydroxy-4-(1-oxo-2-phenoxyethyl)phenoxy]-1-oxoethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[[2-[3-hydroxy-4-(2-phenoxyacetyl)phenoxy]acetyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[2-[3-hydroxy-4-(2-phenoxyacetyl)phenoxy]acetyl]amino]-4-methyl-valerate Formula: C22H24NO7- MolecularWeight: 414.42846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO7/c1-14(2)10-18(22(27)28)23-21(26)13-30-16-8-9-17(19(24)11-16)20(25)12-29-15-6-4-3-5-7-15/h3-9,11,14,18,24H,10,12-13H2,1-2H3,(H,23,26)(H,27,28)/p-1/t18-/m0/s1