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

Systemtic Name: 2-[[6-azanyl-5-[(5-phenoxythiophen-2-yl)methylcarbamoyl]pyridin-2-yl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[6-amino-5-[(5-phenoxy-2-thienyl)methylcarbamoyl]-2-pyridyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[6-amino-5-[oxo-[(5-phenoxy-2-thiophenyl)methylamino]methyl]-2-pyridinyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[6-amino-5-[(5-phenoxythiophen-2-yl)methylcarbamoyl]pyridin-2-yl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[6-amino-5-[(5-phenoxy-2-thienyl)methylcarbamoyl]-2-pyridyl]amino]-3-hydroxy-butyric acid Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5S/c1-12(26)18(21(28)29)24-16-9-8-15(19(22)25-16)20(27)23-11-14-7-10-17(31-14)30-13-5-3-2-4-6-13/h2-10,12,18,26H,11H2,1H3,(H,23,27)(H,28,29)(H3,22,24,25)