3-[[[4-azanyl-2-(1-hydroxyethylsulfonyl)phenyl]-propyl-amino]-carboxy-amino]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[[[4-azanyl-2-(1-hydroxyethylsulfonyl)phenyl]-propyl-amino]-carboxy-amino]-2,2-dimethyl-propanoic acid Openeye Name: 3-[[4-amino-2-(1-hydroxyethylsulfonyl)-N-propyl-anilino]-carboxy-amino]-2,2-dimethyl-propanoic acid CAS Name: 3-[[4-amino-2-(1-hydroxyethylsulfonyl)-N-propylanilino]-carboxyamino]-2,2-dimethylpropanoic acid IUPAC Name: 3-[[4-amino-2-(1-hydroxyethylsulfonyl)-N-propylanilino]-carboxyamino]-2,2-dimethylpropanoic acid Traditional Name: 3-[[4-amino-2-(1-hydroxyethylsulfonyl)-N-propyl-anilino]-carboxy-amino]-2,2-dimethyl-propionic acid Formula: C17H27N3O7S MolecularWeight: 417.47718

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=C(C=C(C=C1)N)S(=O)(=O)C(C)O)N(CC(C)(C)C(=O)O)C(=O)O

Isomeric SMILES

CCCN(C1=C(C=C(C=C1)N)S(=O)(=O)C(C)O)N(CC(C)(C)C(=O)O)C(=O)O

InChI

InChI=1S/C17H27N3O7S/c1-5-8-19(20(16(24)25)10-17(3,4)15(22)23)13-7-6-12(18)9-14(13)28(26,27)11(2)21/h6-7,9,11,21H,5,8,10,18H2,1-4H3,(H,22,23)(H,24,25)