3-[4-oxidanyl-3-[2-(thiophen-2-ylamino)propanoyl]phenyl]-2-(thiophen-2-ylcarbonylamino)propanoic acid

Systemtic Name: 3-[4-oxidanyl-3-[2-(thiophen-2-ylamino)propanoyl]phenyl]-2-(thiophen-2-ylcarbonylamino)propanoic acid Openeye Name: 3-[4-hydroxy-3-[2-(2-thienylamino)propanoyl]phenyl]-2-(thiophene-2-carbonylamino)propanoic acid CAS Name: 3-[4-hydroxy-3-[1-oxo-2-(thiophen-2-ylamino)propyl]phenyl]-2-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid IUPAC Name: 3-[4-hydroxy-3-[2-(thiophen-2-ylamino)propanoyl]phenyl]-2-(thiophene-2-carbonylamino)propanoic acid Traditional Name: 3-[4-hydroxy-3-[2-(2-thienylamino)propanoyl]phenyl]-2-(2-thenoylamino)propionic acid Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C2=CC=CS2)O)NC3=CC=CS3

Isomeric SMILES

CC(C(=O)C1=C(C=CC(=C1)CC(C(=O)O)NC(=O)C2=CC=CS2)O)NC3=CC=CS3

InChI

InChI=1S/C21H20N2O5S2/c1-12(22-18-5-3-9-30-18)19(25)14-10-13(6-7-16(14)24)11-15(21(27)28)23-20(26)17-4-2-8-29-17/h2-10,12,15,22,24H,11H2,1H3,(H,23,26)(H,27,28)