tert-butyl N-[(2S,3R)-1-(1H-indol-3-yl)-6-methyl-3-oxidanyl-4-oxidanylidene-heptan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3R)-1-(1H-indol-3-yl)-6-methyl-3-oxidanyl-4-oxidanylidene-heptan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-2-hydroxy-1-(1H-indol-3-ylmethyl)-5-methyl-3-oxo-hexyl]carbamate CAS Name: N-[(2S,3R)-3-hydroxy-1-(1H-indol-3-yl)-6-methyl-4-oxoheptan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3R)-3-hydroxy-1-(1H-indol-3-yl)-6-methyl-4-oxoheptan-2-yl]carbamate Traditional Name: N-[(1S,2R)-2-hydroxy-1-(1H-indol-3-ylmethyl)-3-keto-5-methyl-hexyl]carbamic acid tert-butyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)C(C(CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C)O

Isomeric SMILES

CC(C)CC(=O)[C@@H]([C@H](CC1=CNC2=CC=CC=C21)NC(=O)OC(C)(C)C)O

InChI

InChI=1S/C21H30N2O4/c1-13(2)10-18(24)19(25)17(23-20(26)27-21(3,4)5)11-14-12-22-16-9-7-6-8-15(14)16/h6-9,12-13,17,19,22,25H,10-11H2,1-5H3,(H,23,26)/t17-,19+/m0/s1