ethyl 3-[3-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]propanoylamino]propanoate

Systemtic Name: ethyl 3-[3-[3-(4-carbamimidoylphenyl)-2-oxidanylidene-imidazol-1-yl]propanoylamino]propanoate Openeye Name: ethyl 3-[3-[3-(4-carbamimidoylphenyl)-2-oxo-imidazol-1-yl]propanoylamino]propanoate CAS Name: 3-[[3-[3-(4-carbamimidoylphenyl)-2-oxo-1-imidazolyl]-1-oxopropyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[3-(4-carbamimidoylphenyl)-2-oxoimidazol-1-yl]propanoylamino]propanoate Traditional Name: 3-[3-[3-(4-amidinophenyl)-2-keto-4-imidazolin-1-yl]propanoylamino]propionic acid ethyl ester Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)CCN1C=CN(C1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CCOC(=O)CCNC(=O)CCN1C=CN(C1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H23N5O4/c1-2-27-16(25)7-9-21-15(24)8-10-22-11-12-23(18(22)26)14-5-3-13(4-6-14)17(19)20/h3-6,11-12H,2,7-10H2,1H3,(H3,19,20)(H,21,24)