tert-butyl N-[(2S,3R)-3-oxidanyl-1-phenyl-4-(thiophen-2-ylmethylamino)butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3R)-3-oxidanyl-1-phenyl-4-(thiophen-2-ylmethylamino)butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-1-benzyl-2-hydroxy-3-(2-thienylmethylamino)propyl]carbamate CAS Name: N-[(2S,3R)-3-hydroxy-1-phenyl-4-(thiophen-2-ylmethylamino)butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-3-hydroxy-1-phenyl-4-(thiophen-2-ylmethylamino)butan-2-yl]carbamate Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(2-thenylamino)propyl]carbamic acid tert-butyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CNCC2=CC=CS2)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNCC2=CC=CS2)O

InChI

InChI=1S/C20H28N2O3S/c1-20(2,3)25-19(24)22-17(12-15-8-5-4-6-9-15)18(23)14-21-13-16-10-7-11-26-16/h4-11,17-18,21,23H,12-14H2,1-3H3,(H,22,24)/t17-,18+/m0/s1