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

Systemtic Name: [5-(methylsulfamoyl)-2,3-dihydro-1-benzofuran-3-yl] 2-[(2-azanyl-3-phenyl-propanoyl)-ethanoyl-amino]-4-methyl-pentanoate Openeye Name: [5-(methylsulfamoyl)-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-(methylsulfamoyl)-2,3-dihydrobenzofuran-3-yl] ester IUPAC Name: [5-(methylsulfamoyl)-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-(methylsulfamoyl)coumaran-3-yl] ester Formula: C26H33N3O7S MolecularWeight: 531.62112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O7S/c1-16(2)12-22(29(17(3)30)25(31)21(27)13-18-8-6-5-7-9-18)26(32)36-24-15-35-23-11-10-19(14-20(23)24)37(33,34)28-4/h5-11,14,16,21-22,24,28H,12-13,15,27H2,1-4H3