3-pyridin-3-yl-3-[[3-(thiophen-2-ylcarbonylamino)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-pyridin-3-yl-3-[[3-(thiophen-2-ylcarbonylamino)-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]carbonylamino]propanoic acid Openeye Name: 3-(3-pyridyl)-3-[[3-(thiophene-2-carbonylamino)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoyl]amino]propanoic acid CAS Name: 3-[[oxo-[3-[[oxo(thiophen-2-yl)methyl]amino]-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]methyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-pyridin-3-yl-3-[[3-(thiophene-2-carbonylamino)-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzoyl]amino]propanoic acid Traditional Name: 3-(3-pyridyl)-3-[[3-(2-thenoylamino)-4-[4-(2-thenoyl)piperazino]benzoyl]amino]propionic acid Formula: C29H27N5O5S2 MolecularWeight: 589.68518

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4=CC=CS4)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)NC(CC(=O)O)C3=CN=CC=C3)NC(=O)C4=CC=CS4)C(=O)C5=CC=CS5

InChI

InChI=1S/C29H27N5O5S2/c35-26(36)17-21(20-4-1-9-30-18-20)31-27(37)19-7-8-23(22(16-19)32-28(38)24-5-2-14-40-24)33-10-12-34(13-11-33)29(39)25-6-3-15-41-25/h1-9,14-16,18,21H,10-13,17H2,(H,31,37)(H,32,38)(H,35,36)