2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-methylsulfanyl-propanoyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-methylsulfanyl-propanoyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-methylsulfanyl-propanoyl]phenoxy]acetic acid CAS Name: 2-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-(methylthio)-1-oxopropyl]phenoxy]acetic acid IUPAC Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-methylsulfanylpropanoyl]phenoxy]acetic acid Traditional Name: 2-[4-[2-[(4-amidinobenzoyl)amino]-3-(methylthio)propanoyl]phenoxy]acetic acid Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-29-11-16(23-20(27)14-4-2-13(3-5-14)19(21)22)18(26)12-6-8-15(9-7-12)28-10-17(24)25/h2-9,16H,10-11H2,1H3,(H3,21,22)(H,23,27)(H,24,25)