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

Systemtic Name: 4-[[[4-azanyl-2-(2-hydroxyethylsulfonyl)phenyl]-ethyl-amino]-carboxy-amino]-3,3-dimethyl-butanoic acid Openeye Name: 4-[[4-amino-N-ethyl-2-(2-hydroxyethylsulfonyl)anilino]-carboxy-amino]-3,3-dimethyl-butanoic acid CAS Name: 4-[[4-amino-N-ethyl-2-(2-hydroxyethylsulfonyl)anilino]-carboxyamino]-3,3-dimethylbutanoic acid IUPAC Name: 4-[[4-amino-N-ethyl-2-(2-hydroxyethylsulfonyl)anilino]-carboxyamino]-3,3-dimethylbutanoic acid Traditional Name: 4-[[4-amino-N-ethyl-2-(2-hydroxyethylsulfonyl)anilino]-carboxy-amino]-3,3-dimethyl-butyric acid Formula: C17H27N3O7S MolecularWeight: 417.47718

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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)CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O7S/c1-4-19(20(16(24)25)11-17(2,3)10-15(22)23)13-6-5-12(18)9-14(13)28(26,27)8-7-21/h5-6,9,21H,4,7-8,10-11,18H2,1-3H3,(H,22,23)(H,24,25)