3-methyl-N-[4-[2-methylpropyl(methylsulfonyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-methylsulfanyl-2-(2-pyrrolidin-1-ylethanoylamino)butanamide

Systemtic Name: 3-methyl-N-[4-[2-methylpropyl(methylsulfonyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]-3-methylsulfanyl-2-(2-pyrrolidin-1-ylethanoylamino)butanamide Openeye Name: N-[1-benzyl-2-hydroxy-3-[isobutyl(methylsulfonyl)amino]propyl]-3-methyl-3-methylsulfanyl-2-[(2-pyrrolidin-1-ylacetyl)amino]butanamide CAS Name: N-[3-hydroxy-4-[2-methylpropyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]-3-methyl-3-(methylthio)-2-[[1-oxo-2-(1-pyrrolidinyl)ethyl]amino]butanamide IUPAC Name: N-[3-hydroxy-4-[2-methylpropyl(methylsulfonyl)amino]-1-phenylbutan-2-yl]-3-methyl-3-methylsulfanyl-2-[(2-pyrrolidin-1-ylacetyl)amino]butanamide Traditional Name: N-[1-benzyl-2-hydroxy-3-[isobutyl(mesyl)amino]propyl]-3-methyl-3-(methylthio)-2-[(2-pyrrolidinoacetyl)amino]butyramide Formula: C27H46N4O5S2 MolecularWeight: 570.80794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C(C)(C)SC)NC(=O)CN2CCCC2)O)S(=O)(=O)C

Isomeric SMILES

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)C(C(C)(C)SC)NC(=O)CN2CCCC2)O)S(=O)(=O)C

InChI

InChI=1S/C27H46N4O5S2/c1-20(2)17-31(38(6,35)36)18-23(32)22(16-21-12-8-7-9-13-21)28-26(34)25(27(3,4)37-5)29-24(33)19-30-14-10-11-15-30/h7-9,12-13,20,22-23,25,32H,10-11,14-19H2,1-6H3,(H,28,34)(H,29,33)