pyridin-3-ylmethyl N-[(2S,3R)-4-[3H-benzimidazol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: pyridin-3-ylmethyl N-[(2S,3R)-4-[3H-benzimidazol-5-ylsulfonyl(2-methylpropyl)amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: 3-pyridylmethyl N-[(1S,2R)-3-[3H-benzimidazol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]carbamate CAS Name: N-[(2S,3R)-4-[3H-benzimidazol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid 3-pyridinylmethyl ester IUPAC Name: pyridin-3-ylmethyl N-[(2S,3R)-4-[3H-benzimidazol-5-ylsulfonyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-3-[3H-benzimidazol-5-ylsulfonyl(isobutyl)amino]-1-benzyl-2-hydroxy-propyl]carbamic acid 3-pyridylmethyl ester Formula: C28H33N5O5S MolecularWeight: 551.65712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OCC2=CN=CC=C2)O)S(=O)(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OCC2=CN=CC=C2)O)S(=O)(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C28H33N5O5S/c1-20(2)16-33(39(36,37)23-10-11-24-25(14-23)31-19-30-24)17-27(34)26(13-21-7-4-3-5-8-21)32-28(35)38-18-22-9-6-12-29-15-22/h3-12,14-15,19-20,26-27,34H,13,16-18H2,1-2H3,(H,30,31)(H,32,35)/t26-,27+/m0/s1