2-(2-acetamidoethoxycarbonyl)-2-(2-methylpropylcarbamoylamino)-5-oxidanyl-3-phenyl-pentanoic acid

Systemtic Name: 2-(2-acetamidoethoxycarbonyl)-2-(2-methylpropylcarbamoylamino)-5-oxidanyl-3-phenyl-pentanoic acid Openeye Name: 2-(2-acetamidoethoxycarbonyl)-5-hydroxy-2-(isobutylcarbamoylamino)-3-phenyl-pentanoic acid CAS Name: 2-[2-acetamidoethoxy(oxo)methyl]-5-hydroxy-2-[[(2-methylpropylamino)-oxomethyl]amino]-3-phenylpentanoic acid IUPAC Name: 2-(2-acetamidoethoxycarbonyl)-5-hydroxy-2-(2-methylpropylcarbamoylamino)-3-phenylpentanoic acid Traditional Name: 2-(2-acetamidoethoxycarbonyl)-5-hydroxy-2-(isobutylcarbamoylamino)-3-phenyl-valeric acid Formula: C21H31N3O7 MolecularWeight: 437.48674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(C(CCO)C1=CC=CC=C1)(C(=O)O)C(=O)OCCNC(=O)C

Isomeric SMILES

CC(C)CNC(=O)NC(C(CCO)C1=CC=CC=C1)(C(=O)O)C(=O)OCCNC(=O)C

InChI

InChI=1S/C21H31N3O7/c1-14(2)13-23-20(30)24-21(18(27)28,19(29)31-12-10-22-15(3)26)17(9-11-25)16-7-5-4-6-8-16/h4-8,14,17,25H,9-13H2,1-3H3,(H,22,26)(H,27,28)(H2,23,24,30)