2-azanyl-2-methylsulfonyl-5-oxidanyl-3-(phenylmethyl)-4-propyl-nonanoic acid

Systemtic Name: 2-azanyl-2-methylsulfonyl-5-oxidanyl-3-(phenylmethyl)-4-propyl-nonanoic acid Openeye Name: 2-amino-3-benzyl-5-hydroxy-2-methylsulfonyl-4-propyl-nonanoic acid CAS Name: 2-amino-5-hydroxy-2-methylsulfonyl-3-(phenylmethyl)-4-propylnonanoic acid IUPAC Name: 2-amino-3-benzyl-5-hydroxy-2-methylsulfonyl-4-propylnonanoic acid Traditional Name: 2-amino-3-benzyl-5-hydroxy-2-mesyl-4-propyl-pelargonic acid Formula: C20H33NO5S MolecularWeight: 399.54472

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CCC)C(CC1=CC=CC=C1)C(C(=O)O)(N)S(=O)(=O)C)O

Isomeric SMILES

CCCCC(C(CCC)C(CC1=CC=CC=C1)C(C(=O)O)(N)S(=O)(=O)C)O

InChI

InChI=1S/C20H33NO5S/c1-4-6-13-18(22)16(10-5-2)17(14-15-11-8-7-9-12-15)20(21,19(23)24)27(3,25)26/h7-9,11-12,16-18,22H,4-6,10,13-14,21H2,1-3H3,(H,23,24)