pyridin-2-ylmethyl N-[(2S)-1-[[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: pyridin-2-ylmethyl N-[(2S)-1-[[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: 2-pyridylmethyl N-[(1S)-1-[[(1S,2R)-1-benzyl-3-[(4-fluorophenyl)sulfonyl-isobutyl-amino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-1-[[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl N-[(2S)-1-[[(2S,3R)-4-[(4-fluorophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S,2R)-1-benzyl-3-[(4-fluorophenyl)sulfonyl-isobutyl-amino]-2-hydroxy-propyl]carbamoyl]-2-methyl-propyl]carbamic acid 2-pyridylmethyl ester Formula: C32H41FN4O6S MolecularWeight: 628.754543

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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)NC(=O)OCC2=CC=CC=N2)O)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)[C@H](C(C)C)NC(=O)OCC2=CC=CC=N2)O)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C32H41FN4O6S/c1-22(2)19-37(44(41,42)27-15-13-25(33)14-16-27)20-29(38)28(18-24-10-6-5-7-11-24)35-31(39)30(23(3)4)36-32(40)43-21-26-12-8-9-17-34-26/h5-17,22-23,28-30,38H,18-21H2,1-4H3,(H,35,39)(H,36,40)/t28-,29+,30-/m0/s1