3-[[4-carbamimidoyl-2,5-dimethyl-3-phenyl-6-(prop-2-ynylamino)phenyl]-propan-2-yl-amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-carbamimidoyl-2,5-dimethyl-3-phenyl-6-(prop-2-ynylamino)phenyl]-propan-2-yl-amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-carbamimidoyl-N-isopropyl-2,5-dimethyl-3-phenyl-6-(prop-2-ynylamino)anilino]-3-oxo-propanoic acid CAS Name: 3-[4-carbamimidoyl-2,5-dimethyl-3-phenyl-N-propan-2-yl-6-(prop-2-ynylamino)anilino]-3-oxopropanoic acid IUPAC Name: 3-[4-carbamimidoyl-2,5-dimethyl-3-phenyl-N-propan-2-yl-6-(prop-2-ynylamino)anilino]-3-oxopropanoic acid Traditional Name: 3-[4-amidino-N-isopropyl-2,5-dimethyl-3-phenyl-6-(propargylamino)anilino]-3-keto-propionic acid Formula: C24H28N4O3 MolecularWeight: 420.50412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C2=CC=CC=C2)C(=N)N)C)NCC#C)N(C(C)C)C(=O)CC(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1C2=CC=CC=C2)C(=N)N)C)NCC#C)N(C(C)C)C(=O)CC(=O)O

InChI

InChI=1S/C24H28N4O3/c1-6-12-27-22-15(4)21(24(25)26)20(17-10-8-7-9-11-17)16(5)23(22)28(14(2)3)18(29)13-19(30)31/h1,7-11,14,27H,12-13H2,2-5H3,(H3,25,26)(H,30,31)