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

Systemtic Name: 3-azanyl-6-[4-[(2S)-2-azanyl-4-oxidanyl-butanoyl]piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-[(2S)-2-amino-4-hydroxy-butanoyl]piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[(2S)-2-amino-4-hydroxy-1-oxobutyl]-1-piperazinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2S)-2-amino-4-hydroxybutanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[(2S)-2-amino-4-hydroxy-butanoyl]piperazino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C19H27N5O4S MolecularWeight: 421.51378

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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(CCO)N

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O4S/c1-2-3-11-10-13(22-17-14(11)15(21)16(29-17)19(27)28)23-5-7-24(8-6-23)18(26)12(20)4-9-25/h10,12,25H,2-9,20-21H2,1H3,(H,27,28)/t12-/m0/s1