N-[3-[[2-(methylamino)ethanoylamino]-pent-4-ynoyl-amino]-2-oxidanyl-4-phenyl-butyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide

Systemtic Name: N-[3-[[2-(methylamino)ethanoylamino]-pent-4-ynoyl-amino]-2-oxidanyl-4-phenyl-butyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide Openeye Name: N-[2-hydroxy-3-[[[2-(methylamino)acetyl]amino]-pent-4-ynoyl-amino]-4-phenyl-butyl]-N-isobutyl-benzofuran-5-sulfonamide CAS Name: N-[2-hydroxy-3-[[[2-(methylamino)-1-oxoethyl]amino]-(1-oxopent-4-ynyl)amino]-4-phenylbutyl]-N-(2-methylpropyl)-5-benzofuransulfonamide IUPAC Name: N-[2-hydroxy-3-[[[2-(methylamino)acetyl]amino]-pent-4-ynoylamino]-4-phenylbutyl]-N-(2-methylpropyl)-1-benzofuran-5-sulfonamide Traditional Name: N-[2-hydroxy-3-[pent-4-ynoyl-(sarcosylamino)amino]-4-phenyl-butyl]-N-isobutyl-benzofuran-5-sulfonamide Formula: C30H38N4O6S MolecularWeight: 582.71092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)N(C(=O)CCC#C)NC(=O)CNC)O)S(=O)(=O)C2=CC3=C(C=C2)OC=C3

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)N(C(=O)CCC#C)NC(=O)CNC)O)S(=O)(=O)C2=CC3=C(C=C2)OC=C3

InChI

InChI=1S/C30H38N4O6S/c1-5-6-12-30(37)34(32-29(36)19-31-4)26(17-23-10-8-7-9-11-23)27(35)21-33(20-22(2)3)41(38,39)25-13-14-28-24(18-25)15-16-40-28/h1,7-11,13-16,18,22,26-27,31,35H,6,12,17,19-21H2,2-4H3,(H,32,36)