N-[3-[3-methylpentanoyl-[2-[(phenylmethyl)amino]ethanoylamino]amino]-2-oxidanyl-4-phenyl-butyl]-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-sulfonamide

Systemtic Name: N-[3-[3-methylpentanoyl-[2-[(phenylmethyl)amino]ethanoylamino]amino]-2-oxidanyl-4-phenyl-butyl]-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-sulfonamide Openeye Name: N-[3-[[[2-(benzylamino)acetyl]amino]-(3-methylpentanoyl)amino]-2-hydroxy-4-phenyl-butyl]-N-isobutyl-2,3-dihydrobenzofuran-5-sulfonamide CAS Name: N-[2-hydroxy-3-[(3-methyl-1-oxopentyl)-[[1-oxo-2-[(phenylmethyl)amino]ethyl]amino]amino]-4-phenylbutyl]-N-(2-methylpropyl)-2,3-dihydrobenzofuran-5-sulfonamide IUPAC Name: N-[3-[[[2-(benzylamino)acetyl]amino]-(3-methylpentanoyl)amino]-2-hydroxy-4-phenylbutyl]-N-(2-methylpropyl)-2,3-dihydro-1-benzofuran-5-sulfonamide Traditional Name: N-[3-[[[2-(benzylamino)acetyl]amino]-(3-methylpentanoyl)amino]-2-hydroxy-4-phenyl-butyl]-N-isobutyl-coumaran-5-sulfonamide Formula: C37H50N4O6S MolecularWeight: 678.8811

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC(=O)N(C(CC1=CC=CC=C1)C(CN(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)OCC3)O)NC(=O)CNCC4=CC=CC=C4

Isomeric SMILES

CCC(C)CC(=O)N(C(CC1=CC=CC=C1)C(CN(CC(C)C)S(=O)(=O)C2=CC3=C(C=C2)OCC3)O)NC(=O)CNCC4=CC=CC=C4

InChI

InChI=1S/C37H50N4O6S/c1-5-28(4)20-37(44)41(39-36(43)24-38-23-30-14-10-7-11-15-30)33(21-29-12-8-6-9-13-29)34(42)26-40(25-27(2)3)48(45,46)32-16-17-35-31(22-32)18-19-47-35/h6-17,22,27-28,33-34,38,42H,5,18-21,23-26H2,1-4H3,(H,39,43)