N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: N-[(1S,2R)-1-benzyl-3-[(4-fluorophenyl)sulfonyl-isopentyl-amino]-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate IUPAC Name: N-[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-3-[(4-fluorophenyl)sulfonyl-isoamyl-amino]-2-hydroxy-propyl]carbamate Formula: C22H28FN2O5S- MolecularWeight: 451.531523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(C(CC1=CC=CC=C1)NC(=O)[O-])O)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC(C)CCN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[O-])O)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C22H29FN2O5S/c1-16(2)12-13-25(31(29,30)19-10-8-18(23)9-11-19)15-21(26)20(24-22(27)28)14-17-6-4-3-5-7-17/h3-11,16,20-21,24,26H,12-15H2,1-2H3,(H,27,28)/p-1/t20-,21+/m0/s1