tert-butyl 3-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]carbonyl-phenethyl-amino]propanoate

Systemtic Name: tert-butyl 3-[[3-(4-carbamimidoylphenyl)-2-oxidanylidene-1,3-oxazolidin-5-yl]carbonyl-phenethyl-amino]propanoate Openeye Name: tert-butyl 3-[[3-(4-carbamimidoylphenyl)-2-oxo-oxazolidine-5-carbonyl]-phenethyl-amino]propanoate CAS Name: 3-[[[3-(4-carbamimidoylphenyl)-2-oxo-5-oxazolidinyl]-oxomethyl]-phenethylamino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[3-(4-carbamimidoylphenyl)-2-oxo-1,3-oxazolidine-5-carbonyl]-phenethylamino]propanoate Traditional Name: 3-[[3-(4-amidinophenyl)-2-keto-oxazolidine-5-carbonyl]-phenethyl-amino]propionic acid tert-butyl ester Formula: C26H32N4O5 MolecularWeight: 480.55608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCN(CCC1=CC=CC=C1)C(=O)C2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(C)(C)OC(=O)CCN(CCC1=CC=CC=C1)C(=O)C2CN(C(=O)O2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C26H32N4O5/c1-26(2,3)35-22(31)14-16-29(15-13-18-7-5-4-6-8-18)24(32)21-17-30(25(33)34-21)20-11-9-19(10-12-20)23(27)28/h4-12,21H,13-17H2,1-3H3,(H3,27,28)