2-[[3-ethoxy-3-oxidanylidene-2-[(4-propan-2-ylphenyl)methyl]propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[3-ethoxy-3-oxidanylidene-2-[(4-propan-2-ylphenyl)methyl]propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[3-ethoxy-2-[(4-isopropylphenyl)methyl]-3-oxo-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[3-ethoxy-1,3-dioxo-2-[(4-propan-2-ylphenyl)methyl]propyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-ethoxy-3-oxo-2-[(4-propan-2-ylphenyl)methyl]propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[3-ethoxy-2-(4-isopropylbenzyl)-3-keto-propanoyl]amino]-4-methyl-valeric acid Formula: C21H31NO5 MolecularWeight: 377.47454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)C(C)C)C(=O)NC(CC(C)C)C(=O)O

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)C(C)C)C(=O)NC(CC(C)C)C(=O)O

InChI

InChI=1S/C21H31NO5/c1-6-27-21(26)17(12-15-7-9-16(10-8-15)14(4)5)19(23)22-18(20(24)25)11-13(2)3/h7-10,13-14,17-18H,6,11-12H2,1-5H3,(H,22,23)(H,24,25)