2-[(2-azanyl-3-phenyl-propanoyl)-[3-(2,3-dihydro-1-benzofuran-2-yl)propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)-[3-(2,3-dihydro-1-benzofuran-2-yl)propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)-[3-(2,3-dihydrobenzofuran-2-yl)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-[3-(2,3-dihydrobenzofuran-2-yl)-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)-[3-(2,3-dihydro-1-benzofuran-2-yl)propanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[3-coumaran-2-ylpropanoyl(phenylalanyl)amino]-4-methyl-valeric acid Formula: C26H32N2O5 MolecularWeight: 452.54268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N(C(=O)CCC1CC2=CC=CC=C2O1)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CC(C(=O)O)N(C(=O)CCC1CC2=CC=CC=C2O1)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C26H32N2O5/c1-17(2)14-22(26(31)32)28(25(30)21(27)15-18-8-4-3-5-9-18)24(29)13-12-20-16-19-10-6-7-11-23(19)33-20/h3-11,17,20-22H,12-16,27H2,1-2H3,(H,31,32)