methyl 2-[(2-azanyl-3-phenyl-propanoyl)-(2,3-dihydro-1-benzofuran-2-ylcarbonyl)amino]-4-methyl-pentanoate

Systemtic Name: methyl 2-[(2-azanyl-3-phenyl-propanoyl)-(2,3-dihydro-1-benzofuran-2-ylcarbonyl)amino]-4-methyl-pentanoate Openeye Name: methyl 2-[(2-amino-3-phenyl-propanoyl)-(2,3-dihydrobenzofuran-2-carbonyl)amino]-4-methyl-pentanoate CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-[2,3-dihydrobenzofuran-2-yl(oxo)methyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-3-phenylpropanoyl)-(2,3-dihydro-1-benzofuran-2-carbonyl)amino]-4-methylpentanoate Traditional Name: 2-[coumaran-2-carbonyl(phenylalanyl)amino]-4-methyl-valeric acid methyl ester Formula: C25H30N2O5 MolecularWeight: 438.5161

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N(C(=O)C1CC2=CC=CC=C2O1)C(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CC(C(=O)OC)N(C(=O)C1CC2=CC=CC=C2O1)C(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C25H30N2O5/c1-16(2)13-20(25(30)31-3)27(23(28)19(26)14-17-9-5-4-6-10-17)24(29)22-15-18-11-7-8-12-21(18)32-22/h4-12,16,19-20,22H,13-15,26H2,1-3H3