2-[(1-phenylcyclohexyl)carbonylamino]-3-sulfo-propanoic acid

Systemtic Name: 2-[(1-phenylcyclohexyl)carbonylamino]-3-sulfo-propanoic acid Openeye Name: 2-[(1-phenylcyclohexanecarbonyl)amino]-3-sulfo-propanoic acid CAS Name: 2-[[oxo-(1-phenylcyclohexyl)methyl]amino]-3-sulfopropanoic acid IUPAC Name: 2-[(1-phenylcyclohexanecarbonyl)amino]-3-sulfopropanoic acid Traditional Name: 2-[(1-phenylcyclohexanecarbonyl)amino]-3-sulfo-propionic acid Formula: C16H21NO6S MolecularWeight: 355.40604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C2=CC=CC=C2)C(=O)NC(CS(=O)(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)(C2=CC=CC=C2)C(=O)NC(CS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C16H21NO6S/c18-14(19)13(11-24(21,22)23)17-15(20)16(9-5-2-6-10-16)12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,17,20)(H,18,19)(H,21,22,23)