tert-butyl N-[(2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[(4-hydroxy-3-iodo-phenyl)methyl]-2-(isopentylamino)-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-3-(4-hydroxy-3-iodophenyl)-1-(3-methylbutylamino)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-(4-hydroxy-3-iodophenyl)-1-(3-methylbutylamino)-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(4-hydroxy-3-iodo-benzyl)-2-(isoamylamino)-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C19H29IN2O4 MolecularWeight: 476.34903

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C(CC1=CC(=C(C=C1)O)I)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCNC(=O)[C@H](CC1=CC(=C(C=C1)O)I)NC(=O)OC(C)(C)C

InChI

InChI=1S/C19H29IN2O4/c1-12(2)8-9-21-17(24)15(22-18(25)26-19(3,4)5)11-13-6-7-16(23)14(20)10-13/h6-7,10,12,15,23H,8-9,11H2,1-5H3,(H,21,24)(H,22,25)/t15-/m0/s1