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

Systemtic Name: 3-[[[4-azanyl-2-(2-hydroxyethylsulfonyl)phenyl]-ethyl-amino]-carboxy-amino]-2-methyl-propanoic acid Openeye Name: 3-[[4-amino-N-ethyl-2-(2-hydroxyethylsulfonyl)anilino]-carboxy-amino]-2-methyl-propanoic acid CAS Name: 3-[[4-amino-N-ethyl-2-(2-hydroxyethylsulfonyl)anilino]-carboxyamino]-2-methylpropanoic acid IUPAC Name: 3-[[4-amino-N-ethyl-2-(2-hydroxyethylsulfonyl)anilino]-carboxyamino]-2-methylpropanoic acid Traditional Name: 3-[[4-amino-N-ethyl-2-(2-hydroxyethylsulfonyl)anilino]-carboxy-amino]-2-methyl-propionic acid Formula: C15H23N3O7S MolecularWeight: 389.42402

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O7S/c1-3-17(18(15(22)23)9-10(2)14(20)21)12-5-4-11(16)8-13(12)26(24,25)7-6-19/h4-5,8,10,19H,3,6-7,9,16H2,1-2H3,(H,20,21)(H,22,23)