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

Systemtic Name: 3-azanyl-6-[4-[(2S)-2-azanyl-3-oxidanyl-propanoyl]piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-[(2S)-2-amino-3-hydroxy-propanoyl]piperazin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[(2S)-2-amino-3-hydroxy-1-oxopropyl]-1-piperazinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(2S)-2-amino-3-hydroxypropanoyl]piperazin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[(2S)-2-amino-3-hydroxy-propanoyl]piperazino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C18H25N5O4S MolecularWeight: 407.4872

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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(CO)N

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O4S/c1-2-3-10-8-12(21-16-13(10)14(20)15(28-16)18(26)27)22-4-6-23(7-5-22)17(25)11(19)9-24/h8,11,24H,2-7,9,19-20H2,1H3,(H,26,27)/t11-/m0/s1