tert-butyl N-[(3S)-3-oxidanyl-4-[2-(3-pyridin-2-ylphenyl)ethanoylamino]butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(3S)-3-oxidanyl-4-[2-(3-pyridin-2-ylphenyl)ethanoylamino]butan-2-yl]carbamate Openeye Name: tert-butyl N-[(2S)-2-hydroxy-1-methyl-3-[[2-[3-(2-pyridyl)phenyl]acetyl]amino]propyl]carbamate CAS Name: N-[(3S)-3-hydroxy-4-[[1-oxo-2-[3-(2-pyridinyl)phenyl]ethyl]amino]butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3S)-3-hydroxy-4-[[2-(3-pyridin-2-ylphenyl)acetyl]amino]butan-2-yl]carbamate Traditional Name: N-[(2S)-2-hydroxy-1-methyl-3-[[2-[3-(2-pyridyl)phenyl]acetyl]amino]propyl]carbamic acid tert-butyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CNC(=O)CC1=CC=CC(=C1)C2=CC=CC=N2)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC([C@H](CNC(=O)CC1=CC=CC(=C1)C2=CC=CC=N2)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H29N3O4/c1-15(25-21(28)29-22(2,3)4)19(26)14-24-20(27)13-16-8-7-9-17(12-16)18-10-5-6-11-23-18/h5-12,15,19,26H,13-14H2,1-4H3,(H,24,27)(H,25,28)/t15?,19-/m0/s1