3-[(2-azanyl-4-methylsulfonyl-butanoyl)amino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(2-azanyl-4-methylsulfonyl-butanoyl)amino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(2-amino-4-methylsulfonyl-butanoyl)amino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(2-amino-4-methylsulfonyl-1-oxobutyl)amino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(2-amino-4-methylsulfonylbutanoyl)amino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(2-amino-4-mesyl-butanoyl)amino]-3-(2-thienyl)propionic acid Formula: C12H18N2O5S2 MolecularWeight: 334.41172

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)NC(CC(=O)O)C1=CC=CS1)N

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)NC(CC(=O)O)C1=CC=CS1)N

InChI

InChI=1S/C12H18N2O5S2/c1-21(18,19)6-4-8(13)12(17)14-9(7-11(15)16)10-3-2-5-20-10/h2-3,5,8-9H,4,6-7,13H2,1H3,(H,14,17)(H,15,16)