tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(3-phenethylbenzimidazol-5-yl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3R)-4-[2-methylpropyl-(3-phenethylbenzimidazol-5-yl)sulfonyl-amino]-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(3-phenethylbenzimidazol-5-yl)sulfonyl-amino]propyl]carbamate CAS Name: N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[(3-phenethyl-5-benzimidazolyl)sulfonyl]amino]-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(3-phenethylbenzimidazol-5-yl)sulfonylamino]-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-[isobutyl-(3-phenethylbenzimidazol-5-yl)sulfonyl-amino]propyl]carbamic acid tert-butyl ester Formula: C34H44N4O5S MolecularWeight: 620.80196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)C2=CC3=C(C=C2)N=CN3CCC4=CC=CC=C4

Isomeric SMILES

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)S(=O)(=O)C2=CC3=C(C=C2)N=CN3CCC4=CC=CC=C4

InChI

InChI=1S/C34H44N4O5S/c1-25(2)22-38(23-32(39)30(20-27-14-10-7-11-15-27)36-33(40)43-34(3,4)5)44(41,42)28-16-17-29-31(21-28)37(24-35-29)19-18-26-12-8-6-9-13-26/h6-17,21,24-25,30,32,39H,18-20,22-23H2,1-5H3,(H,36,40)/t30-,32+/m0/s1