2-azanyl-3-(3-hydroxyphenyl)-2-methylsulfonyl-3-prop-2-enyl-heptanoic acid

Systemtic Name: 2-azanyl-3-(3-hydroxyphenyl)-2-methylsulfonyl-3-prop-2-enyl-heptanoic acid Openeye Name: 3-allyl-2-amino-3-(3-hydroxyphenyl)-2-methylsulfonyl-heptanoic acid CAS Name: 2-amino-3-(3-hydroxyphenyl)-2-methylsulfonyl-3-prop-2-enylheptanoic acid IUPAC Name: 2-amino-3-(3-hydroxyphenyl)-2-methylsulfonyl-3-prop-2-enylheptanoic acid Traditional Name: 2-amino-3-butyl-3-(3-hydroxyphenyl)-2-mesyl-hex-5-enoic acid Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO5S/c1-4-6-11-16(10-5-2,13-8-7-9-14(19)12-13)17(18,15(20)21)24(3,22)23/h5,7-9,12,19H,2,4,6,10-11,18H2,1,3H3,(H,20,21)