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

Systemtic Name: (3S)-4-[[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-2,2,3-trimethyl-butanamide Openeye Name: (3S)-4-[[(1R,2S)-1-benzyl-3-[(4-fluorophenyl)sulfonyl-isopentyl-amino]-2-hydroxy-propyl]amino]-2,2,3-trimethyl-butanamide CAS Name: (3S)-4-[[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2,2,3-trimethylbutanamide IUPAC Name: (3S)-4-[[(2R,3S)-4-[(4-fluorophenyl)sulfonyl-(3-methylbutyl)amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-2,2,3-trimethylbutanamide Traditional Name: (3S)-4-[[(1R,2S)-1-benzyl-3-[(4-fluorophenyl)sulfonyl-isoamyl-amino]-2-hydroxy-propyl]amino]-2,2,3-trimethyl-butyramide Formula: C28H42FN3O4S MolecularWeight: 535.714183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(CC(C(CC1=CC=CC=C1)NCC(C)C(C)(C)C(=O)N)O)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C[C@H](CN[C@H](CC1=CC=CC=C1)[C@H](CN(CCC(C)C)S(=O)(=O)C2=CC=C(C=C2)F)O)C(C)(C)C(=O)N

InChI

InChI=1S/C28H42FN3O4S/c1-20(2)15-16-32(37(35,36)24-13-11-23(29)12-14-24)19-26(33)25(17-22-9-7-6-8-10-22)31-18-21(3)28(4,5)27(30)34/h6-14,20-21,25-26,31,33H,15-19H2,1-5H3,(H2,30,34)/t21-,25-,26+/m1/s1