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

Systemtic Name: (2S)-3-methyl-2-[2-[3-oxidanyl-4-(2-phenoxyethanoyl)phenoxy]ethanoylamino]pentanoic acid Openeye Name: (2S)-2-[[2-[3-hydroxy-4-(2-phenoxyacetyl)phenoxy]acetyl]amino]-3-methyl-pentanoic acid CAS Name: (2S)-2-[[2-[3-hydroxy-4-(1-oxo-2-phenoxyethyl)phenoxy]-1-oxoethyl]amino]-3-methylpentanoic acid IUPAC Name: (2S)-2-[[2-[3-hydroxy-4-(2-phenoxyacetyl)phenoxy]acetyl]amino]-3-methylpentanoic acid Traditional Name: (2S)-2-[[2-[3-hydroxy-4-(2-phenoxyacetyl)phenoxy]acetyl]amino]-3-methyl-valeric acid Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)COC1=CC(=C(C=C1)C(=O)COC2=CC=CC=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO7/c1-3-14(2)21(22(27)28)23-20(26)13-30-16-9-10-17(18(24)11-16)19(25)12-29-15-7-5-4-6-8-15/h4-11,14,21,24H,3,12-13H2,1-2H3,(H,23,26)(H,27,28)/t14?,21-/m0/s1