2-azanyl-3-[3-(hydroxymethyl)phenyl]-2-methylsulfonyl-3-prop-2-enyl-heptanoic acid

Systemtic Name: 2-azanyl-3-[3-(hydroxymethyl)phenyl]-2-methylsulfonyl-3-prop-2-enyl-heptanoic acid Openeye Name: 3-allyl-2-amino-3-[3-(hydroxymethyl)phenyl]-2-methylsulfonyl-heptanoic acid CAS Name: 2-amino-3-[3-(hydroxymethyl)phenyl]-2-methylsulfonyl-3-prop-2-enylheptanoic acid IUPAC Name: 2-amino-3-[3-(hydroxymethyl)phenyl]-2-methylsulfonyl-3-prop-2-enylheptanoic acid Traditional Name: 2-amino-3-butyl-2-mesyl-3-(3-methylolphenyl)hex-5-enoic acid Formula: C18H27NO5S MolecularWeight: 369.47568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC=C)(C1=CC=CC(=C1)CO)C(C(=O)O)(N)S(=O)(=O)C

Isomeric SMILES

CCCCC(CC=C)(C1=CC=CC(=C1)CO)C(C(=O)O)(N)S(=O)(=O)C

InChI

InChI=1S/C18H27NO5S/c1-4-6-11-17(10-5-2,15-9-7-8-14(12-15)13-20)18(19,16(21)22)25(3,23)24/h5,7-9,12,20H,2,4,6,10-11,13,19H2,1,3H3,(H,21,22)