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

Systemtic Name: 2-azanyl-2-methylsulfonyl-5-oxidanyl-3-(phenylmethyl)-4-propyl-decanoic acid Openeye Name: 2-amino-3-benzyl-5-hydroxy-2-methylsulfonyl-4-propyl-decanoic acid CAS Name: 2-amino-5-hydroxy-2-methylsulfonyl-3-(phenylmethyl)-4-propyldecanoic acid IUPAC Name: 2-amino-3-benzyl-5-hydroxy-2-methylsulfonyl-4-propyldecanoic acid Traditional Name: 2-amino-3-benzyl-5-hydroxy-2-mesyl-4-propyl-capric acid Formula: C21H35NO5S MolecularWeight: 413.5713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H35NO5S/c1-4-6-8-14-19(23)17(11-5-2)18(15-16-12-9-7-10-13-16)21(22,20(24)25)28(3,26)27/h7,9-10,12-13,17-19,23H,4-6,8,11,14-15,22H2,1-3H3,(H,24,25)