N-[1-[[4-[2-methylpropyl(methylsulfonyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-1-oxidanylidene-pent-4-yn-2-yl]pyrrolidine-2-carboxamide

Systemtic Name: N-[1-[[4-[2-methylpropyl(methylsulfonyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-1-oxidanylidene-pent-4-yn-2-yl]pyrrolidine-2-carboxamide Openeye Name: N-[1-[[1-benzyl-2-hydroxy-3-[isobutyl(methylsulfonyl)amino]propyl]carbamoyl]but-3-ynyl]pyrrolidine-2-carboxamide CAS Name: N-[1-[[3-hydroxy-4-[2-methylpropyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]amino]-1-oxopent-4-yn-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: N-[1-[[3-hydroxy-4-[2-methylpropyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]amino]-1-oxopent-4-yn-2-yl]pyrrolidine-2-carboxamide Traditional Name: N-[1-[[1-benzyl-2-hydroxy-3-[isobutyl(mesyl)amino]propyl]carbamoyl]but-3-ynyl]pyrrolidine-2-carboxamide Formula: C25H38N4O5S MolecularWeight: 506.65802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(CC#C)NC(=O)C2CCCN2)O)S(=O)(=O)C

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(CC#C)NC(=O)C2CCCN2)O)S(=O)(=O)C

InChI

InChI=1S/C25H38N4O5S/c1-5-10-21(27-24(31)20-13-9-14-26-20)25(32)28-22(15-19-11-7-6-8-12-19)23(30)17-29(16-18(2)3)35(4,33)34/h1,6-8,11-12,18,20-23,26,30H,9-10,13-17H2,2-4H3,(H,27,31)(H,28,32)