2-azanyl-4-methyl-pentanoic acid; methyl 2-(2,3-dihydro-1-benzofuran-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; methyl 2-(2,3-dihydro-1-benzofuran-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: 2-amino-4-methyl-pentanoic acid; methyl 2-(2,3-dihydrobenzofuran-2-carbonylamino)-3-phenyl-propanoate CAS Name: 2-amino-4-methylpentanoic acid; 2-[[2,3-dihydrobenzofuran-2-yl(oxo)methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: 2-amino-4-methylpentanoic acid; methyl 2-(2,3-dihydro-1-benzofuran-2-carbonylamino)-3-phenylpropanoate Traditional Name: 2-amino-4-methyl-valeric acid; 2-(coumaran-2-carbonylamino)-3-phenyl-propionic acid methyl ester Formula: C25H32N2O6 MolecularWeight: 456.53138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N.COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CC3=CC=CC=C3O2

Isomeric SMILES

CC(C)CC(C(=O)O)N.COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CC3=CC=CC=C3O2

InChI

InChI=1S/C19H19NO4.C6H13NO2/c1-23-19(22)15(11-13-7-3-2-4-8-13)20-18(21)17-12-14-9-5-6-10-16(14)24-17;1-4(2)3-5(7)6(8)9/h2-10,15,17H,11-12H2,1H3,(H,20,21);4-5H,3,7H2,1-2H3,(H,8,9)