2-[(4-carbamimidoylphenyl)amino]-2-[3-methyl-5-[(2-oxidanylcyclopentyl)amino]phenyl]ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)amino]-2-[3-methyl-5-[(2-oxidanylcyclopentyl)amino]phenyl]ethanoic acid Openeye Name: 2-(4-carbamimidoylanilino)-2-[3-[(2-hydroxycyclopentyl)amino]-5-methyl-phenyl]acetic acid CAS Name: 2-(4-carbamimidoylanilino)-2-[3-[(2-hydroxycyclopentyl)amino]-5-methylphenyl]acetic acid IUPAC Name: 2-(4-carbamimidoylanilino)-2-[3-[(2-hydroxycyclopentyl)amino]-5-methylphenyl]acetic acid Traditional Name: 2-(4-amidinoanilino)-2-[3-[(2-hydroxycyclopentyl)amino]-5-methyl-phenyl]acetic acid Formula: C21H26N4O3 MolecularWeight: 382.45614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC2CCCC2O)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=CC(=CC(=C1)NC2CCCC2O)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H26N4O3/c1-12-9-14(11-16(10-12)24-17-3-2-4-18(17)26)19(21(27)28)25-15-7-5-13(6-8-15)20(22)23/h5-11,17-19,24-26H,2-4H2,1H3,(H3,22,23)(H,27,28)