2-[[4-(3-carbamimidoylphenoxy)pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[4-(3-carbamimidoylphenoxy)pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[4-(3-carbamimidoylphenoxy)pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[4-(3-carbamimidoylphenoxy)-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[4-(3-carbamimidoylphenoxy)pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[4-(3-amidinophenoxy)prolyl]amino]-3-methyl-butyric acid Formula: C17H24N4O4 MolecularWeight: 348.39686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1CC(CN1)OC2=CC=CC(=C2)C(=N)N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1CC(CN1)OC2=CC=CC(=C2)C(=N)N

InChI

InChI=1S/C17H24N4O4/c1-9(2)14(17(23)24)21-16(22)13-7-12(8-20-13)25-11-5-3-4-10(6-11)15(18)19/h3-6,9,12-14,20H,7-8H2,1-2H3,(H3,18,19)(H,21,22)(H,23,24)