3-[[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-methyl-phenyl]-propan-2-yl-amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-methyl-phenyl]-propan-2-yl-amino]-3-oxidanylidene-propanoic acid Openeye Name: 3-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-N-isopropyl-2-methyl-anilino]-3-oxo-propanoic acid CAS Name: 3-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methyl-N-propan-2-ylanilino]-3-oxopropanoic acid IUPAC Name: 3-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-methyl-N-propan-2-ylanilino]-3-oxopropanoic acid Traditional Name: 3-[4-[3-(4-amidinoanilino)prop-1-ynyl]-N-isopropyl-2-methyl-anilino]-3-keto-propionic acid Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)N(C(C)C)C(=O)CC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C#CCNC2=CC=C(C=C2)C(=N)N)N(C(C)C)C(=O)CC(=O)O

InChI

InChI=1S/C23H26N4O3/c1-15(2)27(21(28)14-22(29)30)20-11-6-17(13-16(20)3)5-4-12-26-19-9-7-18(8-10-19)23(24)25/h6-11,13,15,26H,12,14H2,1-3H3,(H3,24,25)(H,29,30)