(2S)-3-[(2-piperidin-4-ylthieno[2,3-b]thiophen-5-yl)carbonylamino]-2-(pyridin-3-ylsulfonylamino)propanoic acid

Systemtic Name: (2S)-3-[(2-piperidin-4-ylthieno[2,3-b]thiophen-5-yl)carbonylamino]-2-(pyridin-3-ylsulfonylamino)propanoic acid Openeye Name: (2S)-3-[[2-(4-piperidyl)thieno[2,3-b]thiophene-5-carbonyl]amino]-2-(3-pyridylsulfonylamino)propanoic acid CAS Name: (2S)-3-[[oxo-[2-(4-piperidinyl)-5-thieno[2,3-b]thiophenyl]methyl]amino]-2-(3-pyridinylsulfonylamino)propanoic acid IUPAC Name: (2S)-3-[(2-piperidin-4-ylthieno[2,3-b]thiophene-5-carbonyl)amino]-2-(pyridin-3-ylsulfonylamino)propanoic acid Traditional Name: (2S)-3-[[2-(4-piperidyl)thieno[2,3-b]thiophene-5-carbonyl]amino]-2-(3-pyridylsulfonylamino)propionic acid Formula: C20H22N4O5S3 MolecularWeight: 494.60748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=CC3=C(S2)SC(=C3)C(=O)NCC(C(=O)O)NS(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CNCCC1C2=CC3=C(S2)SC(=C3)C(=O)NC[C@@H](C(=O)O)NS(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H22N4O5S3/c25-18(17-9-13-8-16(30-20(13)31-17)12-3-6-21-7-4-12)23-11-15(19(26)27)24-32(28,29)14-2-1-5-22-10-14/h1-2,5,8-10,12,15,21,24H,3-4,6-7,11H2,(H,23,25)(H,26,27)/t15-/m0/s1