methyl 3-[[4-carbamimidoyl-2,5-dimethyl-3-phenyl-6-(prop-2-ynylamino)phenyl]-propanoyl-amino]propanoate

Systemtic Name: methyl 3-[[4-carbamimidoyl-2,5-dimethyl-3-phenyl-6-(prop-2-ynylamino)phenyl]-propanoyl-amino]propanoate Openeye Name: methyl 3-[4-carbamimidoyl-2,5-dimethyl-3-phenyl-N-propanoyl-6-(prop-2-ynylamino)anilino]propanoate CAS Name: 3-[4-carbamimidoyl-2,5-dimethyl-N-(1-oxopropyl)-3-phenyl-6-(prop-2-ynylamino)anilino]propanoic acid methyl ester IUPAC Name: methyl 3-[4-carbamimidoyl-2,5-dimethyl-3-phenyl-N-propanoyl-6-(prop-2-ynylamino)anilino]propanoate Traditional Name: 3-[4-amidino-2,5-dimethyl-3-phenyl-6-(propargylamino)-N-propionyl-anilino]propionic acid methyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(CCC(=O)OC)C1=C(C(=C(C(=C1NCC#C)C)C(=N)N)C2=CC=CC=C2)C

Isomeric SMILES

CCC(=O)N(CCC(=O)OC)C1=C(C(=C(C(=C1NCC#C)C)C(=N)N)C2=CC=CC=C2)C

InChI

InChI=1S/C25H30N4O3/c1-6-14-28-23-16(3)22(25(26)27)21(18-11-9-8-10-12-18)17(4)24(23)29(19(30)7-2)15-13-20(31)32-5/h1,8-12,28H,7,13-15H2,2-5H3,(H3,26,27)