2-[[1-(2-aminocarbonyl-3-azanyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperidin-4-yl]amino]ethanoic acid

Systemtic Name: 2-[[1-(2-aminocarbonyl-3-azanyl-4-propyl-thieno[2,3-b]pyridin-6-yl)piperidin-4-yl]amino]ethanoic acid Openeye Name: 2-[[1-(3-amino-2-carbamoyl-4-propyl-thieno[2,3-b]pyridin-6-yl)-4-piperidyl]amino]acetic acid CAS Name: 2-[[1-(3-amino-2-carbamoyl-4-propyl-6-thieno[2,3-b]pyridinyl)-4-piperidinyl]amino]acetic acid IUPAC Name: 2-[[1-(3-amino-2-carbamoyl-4-propylthieno[2,3-b]pyridin-6-yl)piperidin-4-yl]amino]acetic acid Traditional Name: 2-[[1-(3-amino-2-carbamoyl-4-propyl-thieno[2,3-b]pyridin-6-yl)-4-piperidyl]amino]acetic acid Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)N)N)N3CCC(CC3)NCC(=O)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)N)N)N3CCC(CC3)NCC(=O)O

InChI

InChI=1S/C18H25N5O3S/c1-2-3-10-8-12(22-18-14(10)15(19)16(27-18)17(20)26)23-6-4-11(5-7-23)21-9-13(24)25/h8,11,21H,2-7,9,19H2,1H3,(H2,20,26)(H,24,25)