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

Systemtic Name: 4-[[[4-azanyl-2-(2-hydroxyethylsulfonyl)phenyl]-ethyl-amino]-carboxy-amino]-3-methyl-butanoic acid Openeye Name: 4-[[4-amino-N-ethyl-2-(2-hydroxyethylsulfonyl)anilino]-carboxy-amino]-3-methyl-butanoic acid CAS Name: 4-[[4-amino-N-ethyl-2-(2-hydroxyethylsulfonyl)anilino]-carboxyamino]-3-methylbutanoic acid IUPAC Name: 4-[[4-amino-N-ethyl-2-(2-hydroxyethylsulfonyl)anilino]-carboxyamino]-3-methylbutanoic acid Traditional Name: 4-[[4-amino-N-ethyl-2-(2-hydroxyethylsulfonyl)anilino]-carboxy-amino]-3-methyl-butyric acid Formula: C16H25N3O7S MolecularWeight: 403.4506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O7S/c1-3-18(19(16(23)24)10-11(2)8-15(21)22)13-5-4-12(17)9-14(13)27(25,26)7-6-20/h4-5,9,11,20H,3,6-8,10,17H2,1-2H3,(H,21,22)(H,23,24)