3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-6,6-dimethyl-hept-4-ynoic acid

Systemtic Name: 3-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-6,6-dimethyl-hept-4-ynoic acid Openeye Name: 3-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-6,6-dimethyl-hept-4-ynoic acid CAS Name: 3-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-6,6-dimethyl-4-heptynoic acid IUPAC Name: 3-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-6,6-dimethylhept-4-ynoic acid Traditional Name: 3-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-6,6-dimethyl-hept-4-ynoic acid Formula: C20H26N4O4 MolecularWeight: 386.44484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC(CC(=O)O)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

Isomeric SMILES

CC(C)(C)C#CC(CC(=O)O)NC(=O)CCC(=O)NC1=CC=C(C=C1)C(=N)N

InChI

InChI=1S/C20H26N4O4/c1-20(2,3)11-10-15(12-18(27)28)24-17(26)9-8-16(25)23-14-6-4-13(5-7-14)19(21)22/h4-7,15H,8-9,12H2,1-3H3,(H3,21,22)(H,23,25)(H,24,26)(H,27,28)