tert-butyl N-[(2S)-3-(4-carbamimidoylphenyl)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl]carbamate hydroiodide

Systemtic Name: tert-butyl N-[(2S)-3-(4-carbamimidoylphenyl)-1-morpholin-4-yl-1-oxidanylidene-propan-2-yl]carbamate hydroiodide Openeye Name: tert-butyl N-[(1S)-1-[(4-carbamimidoylphenyl)methyl]-2-morpholino-2-oxo-ethyl]carbamate hydroiodide CAS Name: N-[(2S)-3-(4-carbamimidoylphenyl)-1-(4-morpholinyl)-1-oxopropan-2-yl]carbamic acid tert-butyl ester hydroiodide IUPAC Name: tert-butyl N-[(2S)-3-(4-carbamimidoylphenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamate hydroiodide Traditional Name: N-[(1S)-1-(4-amidinobenzyl)-2-keto-2-morpholino-ethyl]carbamic acid tert-butyl ester hydroiodide Formula: C19H29IN4O4 MolecularWeight: 504.36243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C(=N)N)C(=O)N2CCOCC2.I

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C(=N)N)C(=O)N2CCOCC2.I

InChI

InChI=1S/C19H28N4O4.HI/c1-19(2,3)27-18(25)22-15(17(24)23-8-10-26-11-9-23)12-13-4-6-14(7-5-13)16(20)21;/h4-7,15H,8-12H2,1-3H3,(H3,20,21)(H,22,25);1H/t15-;/m0./s1