2-[[6-(1-adamantyl)-3-azanyl-thieno[2,3-b]pyridin-2-yl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[6-(1-adamantyl)-3-azanyl-thieno[2,3-b]pyridin-2-yl]carbonylamino]ethanoic acid Openeye Name: 2-[[6-(1-adamantyl)-3-amino-thieno[2,3-b]pyridine-2-carbonyl]amino]acetic acid CAS Name: 2-[[[6-(1-adamantyl)-3-amino-2-thieno[2,3-b]pyridinyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[6-(1-adamantyl)-3-aminothieno[2,3-b]pyridine-2-carbonyl]amino]acetic acid Traditional Name: 2-[[6-(1-adamantyl)-3-amino-thieno[2,3-b]pyridine-2-carbonyl]amino]acetic acid Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=C4)C(=C(S5)C(=O)NCC(=O)O)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=C4)C(=C(S5)C(=O)NCC(=O)O)N

InChI

InChI=1S/C20H23N3O3S/c21-16-13-1-2-14(20-6-10-3-11(7-20)5-12(4-10)8-20)23-19(13)27-17(16)18(26)22-9-15(24)25/h1-2,10-12H,3-9,21H2,(H,22,26)(H,24,25)