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

Systemtic Name: methyl 2-[(2-azanyl-3-phenyl-propanoyl)-[3-(2,3-dihydro-1-benzofuran-2-yl)propanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl 2-[(2-amino-3-phenyl-propanoyl)-[3-(2,3-dihydrobenzofuran-2-yl)propanoyl]amino]-4-methyl-pentanoate CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)-[3-(2,3-dihydrobenzofuran-2-yl)-1-oxopropyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(2-amino-3-phenylpropanoyl)-[3-(2,3-dihydro-1-benzofuran-2-yl)propanoyl]amino]-4-methylpentanoate Traditional Name: 2-[3-coumaran-2-ylpropanoyl(phenylalanyl)amino]-4-methyl-valeric acid methyl ester Formula: C27H34N2O5 MolecularWeight: 466.56926

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34N2O5/c1-18(2)15-23(27(32)33-3)29(26(31)22(28)16-19-9-5-4-6-10-19)25(30)14-13-21-17-20-11-7-8-12-24(20)34-21/h4-12,18,21-23H,13-17,28H2,1-3H3