(2S)-3-sulfanyl-2-(1,2,3,4-tetrahydroacridin-9-ylcarbonylamino)propanoic acid

Systemtic Name: (2S)-3-sulfanyl-2-(1,2,3,4-tetrahydroacridin-9-ylcarbonylamino)propanoic acid Openeye Name: (2S)-3-sulfanyl-2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)propanoic acid CAS Name: (2S)-3-mercapto-2-[[oxo(1,2,3,4-tetrahydroacridin-9-yl)methyl]amino]propanoic acid IUPAC Name: (2S)-3-sulfanyl-2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)propanoic acid Traditional Name: (2S)-3-mercapto-2-(1,2,3,4-tetrahydroacridine-9-carbonylamino)propionic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)NC(CS)C(=O)O

Isomeric SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)C(=O)N[C@H](CS)C(=O)O

InChI

InChI=1S/C17H18N2O3S/c20-16(19-14(9-23)17(21)22)15-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)15/h1,3,5,7,14,23H,2,4,6,8-9H2,(H,19,20)(H,21,22)/t14-/m1/s1