2-[[6-azanyl-5-[(5-phenoxythiophen-2-yl)methylcarbamoyl]pyridin-2-yl]amino]pentanedioic acid

Systemtic Name: 2-[[6-azanyl-5-[(5-phenoxythiophen-2-yl)methylcarbamoyl]pyridin-2-yl]amino]pentanedioic acid Openeye Name: 2-[[6-amino-5-[(5-phenoxy-2-thienyl)methylcarbamoyl]-2-pyridyl]amino]pentanedioic acid CAS Name: 2-[[6-amino-5-[oxo-[(5-phenoxy-2-thiophenyl)methylamino]methyl]-2-pyridinyl]amino]pentanedioic acid IUPAC Name: 2-[[6-amino-5-[(5-phenoxythiophen-2-yl)methylcarbamoyl]pyridin-2-yl]amino]pentanedioic acid Traditional Name: 2-[[6-amino-5-[(5-phenoxy-2-thienyl)methylcarbamoyl]-2-pyridyl]amino]glutaric acid Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(S2)CNC(=O)C3=C(N=C(C=C3)NC(CCC(=O)O)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(S2)CNC(=O)C3=C(N=C(C=C3)NC(CCC(=O)O)C(=O)O)N

InChI

InChI=1S/C22H22N4O6S/c23-20-15(7-9-17(26-20)25-16(22(30)31)8-10-18(27)28)21(29)24-12-14-6-11-19(33-14)32-13-4-2-1-3-5-13/h1-7,9,11,16H,8,10,12H2,(H,24,29)(H,27,28)(H,30,31)(H3,23,25,26)