2-[[(E)-N'-ethoxycarbonyloxycarbamimidoyl]-(phenylcarbonyl)amino]-3-oxidanylidene-2-phenoxy-pentanoic acid

Systemtic Name: 2-[[(E)-N'-ethoxycarbonyloxycarbamimidoyl]-(phenylcarbonyl)amino]-3-oxidanylidene-2-phenoxy-pentanoic acid Openeye Name: 2-[benzoyl-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]amino]-3-oxo-2-phenoxy-pentanoic acid CAS Name: 2-[[(E)-amino(ethoxycarbonyloxyimino)methyl]-benzoylamino]-3-oxo-2-phenoxypentanoic acid IUPAC Name: 2-[benzoyl-[(E)-N'-ethoxycarbonyloxycarbamimidoyl]amino]-3-oxo-2-phenoxypentanoic acid Traditional Name: 2-[benzoyl-[(E)-N'-carbethoxyoxyamidino]amino]-3-keto-2-phenoxy-valeric acid Formula: C22H23N3O8 MolecularWeight: 457.43332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(C(=O)O)(N(C(=O)C1=CC=CC=C1)C(=NOC(=O)OCC)N)OC2=CC=CC=C2

Isomeric SMILES

CCC(=O)C(C(=O)O)(N(C(=O)C1=CC=CC=C1)/C(=N/OC(=O)OCC)/N)OC2=CC=CC=C2

InChI

InChI=1S/C22H23N3O8/c1-3-17(26)22(19(28)29,32-16-13-9-6-10-14-16)25(18(27)15-11-7-5-8-12-15)20(23)24-33-21(30)31-4-2/h5-14H,3-4H2,1-2H3,(H2,23,24)(H,28,29)