3-azanyl-6-[4-[(2-oxidanyl-3-oxidanylidene-3-phenylazanyl-propyl)amino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid

Systemtic Name: 3-azanyl-6-[4-[(2-oxidanyl-3-oxidanylidene-3-phenylazanyl-propyl)amino]piperidin-1-yl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Openeye Name: 3-amino-6-[4-[(3-anilino-2-hydroxy-3-oxo-propyl)amino]-1-piperidyl]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid CAS Name: 3-amino-6-[4-[(3-anilino-2-hydroxy-3-oxopropyl)amino]-1-piperidinyl]-4-propyl-2-thieno[2,3-b]pyridinecarboxylic acid IUPAC Name: 3-amino-6-[4-[(3-anilino-2-hydroxy-3-oxopropyl)amino]piperidin-1-yl]-4-propylthieno[2,3-b]pyridine-2-carboxylic acid Traditional Name: 3-amino-6-[4-[(3-anilino-2-hydroxy-3-keto-propyl)amino]piperidino]-4-propyl-thieno[2,3-b]pyridine-2-carboxylic acid Formula: C25H31N5O4S MolecularWeight: 497.60974

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(C(=O)NC4=CC=CC=C4)O

Isomeric SMILES

CCCC1=CC(=NC2=C1C(=C(S2)C(=O)O)N)N3CCC(CC3)NCC(C(=O)NC4=CC=CC=C4)O

InChI

InChI=1S/C25H31N5O4S/c1-2-6-15-13-19(29-24-20(15)21(26)22(35-24)25(33)34)30-11-9-16(10-12-30)27-14-18(31)23(32)28-17-7-4-3-5-8-17/h3-5,7-8,13,16,18,27,31H,2,6,9-12,14,26H2,1H3,(H,28,32)(H,33,34)