2-[[6-azanyl-5-[(5-phenoxythiophen-2-yl)methylcarbamoyl]pyridin-2-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[6-azanyl-5-[(5-phenoxythiophen-2-yl)methylcarbamoyl]pyridin-2-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[6-amino-5-[(5-phenoxy-2-thienyl)methylcarbamoyl]-2-pyridyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[6-amino-5-[oxo-[(5-phenoxy-2-thiophenyl)methylamino]methyl]-2-pyridinyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[6-amino-5-[(5-phenoxythiophen-2-yl)methylcarbamoyl]pyridin-2-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[6-amino-5-[(5-phenoxy-2-thienyl)methylcarbamoyl]-2-pyridyl]amino]-3-phenyl-propionic acid Formula: C26H24N4O4S MolecularWeight: 488.55816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=C(C=C2)C(=O)NCC3=CC=C(S3)OC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NC2=NC(=C(C=C2)C(=O)NCC3=CC=C(S3)OC4=CC=CC=C4)N

InChI

InChI=1S/C26H24N4O4S/c27-24-20(12-13-22(30-24)29-21(26(32)33)15-17-7-3-1-4-8-17)25(31)28-16-19-11-14-23(35-19)34-18-9-5-2-6-10-18/h1-14,21H,15-16H2,(H,28,31)(H,32,33)(H3,27,29,30)