(phenylmethyl) 3-[3-[(4-carbamimidoylphenyl)carbonylamino]propanoylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[3-[(4-carbamimidoylphenyl)carbonylamino]propanoylamino]propanoate Openeye Name: benzyl 3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]propanoate CAS Name: 3-[[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]propanoate Traditional Name: 3-[3-[(4-amidinobenzoyl)amino]propanoylamino]propionic acid benzyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCNC(=O)CCNC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCNC(=O)CCNC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H24N4O4/c22-20(23)16-6-8-17(9-7-16)21(28)25-12-10-18(26)24-13-11-19(27)29-14-15-4-2-1-3-5-15/h1-9H,10-14H2,(H3,22,23)(H,24,26)(H,25,28)