2-[[6-azanyl-5-[(5-phenoxythiophen-2-yl)methylcarbamoyl]pyridin-2-yl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[6-azanyl-5-[(5-phenoxythiophen-2-yl)methylcarbamoyl]pyridin-2-yl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[6-amino-5-[(5-phenoxy-2-thienyl)methylcarbamoyl]-2-pyridyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[6-amino-5-[oxo-[(5-phenoxy-2-thiophenyl)methylamino]methyl]-2-pyridinyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[6-amino-5-[(5-phenoxythiophen-2-yl)methylcarbamoyl]pyridin-2-yl]amino]-4-methylpentanoic acid Traditional Name: 2-[[6-amino-5-[(5-phenoxy-2-thienyl)methylcarbamoyl]-2-pyridyl]amino]-4-methyl-valeric acid Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC1=NC(=C(C=C1)C(=O)NCC2=CC=C(S2)OC3=CC=CC=C3)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC1=NC(=C(C=C1)C(=O)NCC2=CC=C(S2)OC3=CC=CC=C3)N

InChI

InChI=1S/C23H26N4O4S/c1-14(2)12-18(23(29)30)26-19-10-9-17(21(24)27-19)22(28)25-13-16-8-11-20(32-16)31-15-6-4-3-5-7-15/h3-11,14,18H,12-13H2,1-2H3,(H,25,28)(H,29,30)(H3,24,26,27)