3-[(2-methyl-1-sulfo-propyl)carbamoyl]but-3-enoic acid

Systemtic Name: 3-[(2-methyl-1-sulfo-propyl)carbamoyl]but-3-enoic acid Openeye Name: 3-[(2-methyl-1-sulfo-propyl)carbamoyl]but-3-enoic acid CAS Name: 3-[[(2-methyl-1-sulfopropyl)amino]-oxomethyl]-3-butenoic acid IUPAC Name: 3-[(2-methyl-1-sulfopropyl)carbamoyl]but-3-enoic acid Traditional Name: 3-[(2-methyl-1-sulfo-propyl)carbamoyl]but-3-enoic acid Formula: C9H15NO6S MolecularWeight: 265.2835

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)C(=C)CC(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(C)C(NC(=O)C(=C)CC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C9H15NO6S/c1-5(2)9(17(14,15)16)10-8(13)6(3)4-7(11)12/h5,9H,3-4H2,1-2H3,(H,10,13)(H,11,12)(H,14,15,16)