3-azanyl-6-[4-[(2S)-2-azanylpropanoyl]piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-[4-[(2S)-2-azanylpropanoyl]piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[(2S)-2-amino-1-oxopropyl]-1-piperazinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[(2S)-2-aminopropanoyl]piperazino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C18H25N5O3S MolecularWeight: 391.4878

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCN(CC3)C(=O)C(C)N

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCN(CC3)C(=O)[C@H](C)N

InChI

InChI=1S/C18H25N5O3S/c1-3-4-11-9-12(21-16-13(11)14(20)15(27-16)18(25)26)22-5-7-23(8-6-22)17(24)10(2)19/h9-10H,3-8,19-20H2,1-2H3,(H,25,26)/t10-/m0/s1