(5-methanoyl-2,3-dihydro-1-benzofuran-3-yl) 2-[(2-azanyl-3-phenyl-propanoyl)-ethanoyl-amino]-4-methyl-pentanoate

Systemtic Name: (5-methanoyl-2,3-dihydro-1-benzofuran-3-yl) 2-[(2-azanyl-3-phenyl-propanoyl)-ethanoyl-amino]-4-methyl-pentanoate Openeye Name: (5-formyl-2,3-dihydrobenzofuran-3-yl) 2-[acetyl-(2-amino-3-phenyl-propanoyl)amino]-4-methyl-pentanoate CAS Name: 2-[acetyl-(2-amino-1-oxo-3-phenylpropyl)amino]-4-methylpentanoic acid (5-formyl-2,3-dihydrobenzofuran-3-yl) ester IUPAC Name: (5-formyl-2,3-dihydro-1-benzofuran-3-yl) 2-[acetyl-(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoate Traditional Name: 2-[acetyl(phenylalanyl)amino]-4-methyl-valeric acid (5-formylcoumaran-3-yl) ester Formula: C26H30N2O6 MolecularWeight: 466.5262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC1COC2=C1C=C(C=C2)C=O)N(C(=O)C)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CC(C(=O)OC1COC2=C1C=C(C=C2)C=O)N(C(=O)C)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C26H30N2O6/c1-16(2)11-22(26(32)34-24-15-33-23-10-9-19(14-29)12-20(23)24)28(17(3)30)25(31)21(27)13-18-7-5-4-6-8-18/h4-10,12,14,16,21-22,24H,11,13,15,27H2,1-3H3