3-[[[4-azanyl-2-(2-hydroxyethylsulfonyl)phenyl]-ethyl-amino]-carboxy-amino]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[[[4-azanyl-2-(2-hydroxyethylsulfonyl)phenyl]-ethyl-amino]-carboxy-amino]-2,2-dimethyl-propanoic acid Openeye Name: 3-[[4-amino-N-ethyl-2-(2-hydroxyethylsulfonyl)anilino]-carboxy-amino]-2,2-dimethyl-propanoic acid CAS Name: 3-[[4-amino-N-ethyl-2-(2-hydroxyethylsulfonyl)anilino]-carboxyamino]-2,2-dimethylpropanoic acid IUPAC Name: 3-[[4-amino-N-ethyl-2-(2-hydroxyethylsulfonyl)anilino]-carboxyamino]-2,2-dimethylpropanoic acid Traditional Name: 3-[[4-amino-N-ethyl-2-(2-hydroxyethylsulfonyl)anilino]-carboxy-amino]-2,2-dimethyl-propionic acid Formula: C16H25N3O7S MolecularWeight: 403.4506

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C=C(C=C1)N)S(=O)(=O)CCO)N(CC(C)(C)C(=O)O)C(=O)O

Isomeric SMILES

CCN(C1=C(C=C(C=C1)N)S(=O)(=O)CCO)N(CC(C)(C)C(=O)O)C(=O)O

InChI

InChI=1S/C16H25N3O7S/c1-4-18(19(15(23)24)10-16(2,3)14(21)22)12-6-5-11(17)9-13(12)27(25,26)8-7-20/h5-6,9,20H,4,7-8,10,17H2,1-3H3,(H,21,22)(H,23,24)