2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-methyl-butanoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-methyl-butanoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-methyl-butanoyl]phenoxy]acetic acid CAS Name: 2-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]phenoxy]acetic acid IUPAC Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-methylbutanoyl]phenoxy]acetic acid Traditional Name: 2-[4-[2-[(4-amidinobenzoyl)amino]-3-methyl-butanoyl]phenoxy]acetic acid Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)C1=CC=C(C=C1)OCC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(C)C(C(=O)C1=CC=C(C=C1)OCC(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H23N3O5/c1-12(2)18(24-21(28)15-5-3-14(4-6-15)20(22)23)19(27)13-7-9-16(10-8-13)29-11-17(25)26/h3-10,12,18H,11H2,1-2H3,(H3,22,23)(H,24,28)(H,25,26)