2-azanyl-4-[3-(hydroxymethyl)thiophen-2-yl]-2-methylsulfonyl-3-(phenylmethyl)heptanoic acid

Systemtic Name: 2-azanyl-4-[3-(hydroxymethyl)thiophen-2-yl]-2-methylsulfonyl-3-(phenylmethyl)heptanoic acid Openeye Name: 2-amino-3-benzyl-4-[3-(hydroxymethyl)-2-thienyl]-2-methylsulfonyl-heptanoic acid CAS Name: 2-amino-4-[3-(hydroxymethyl)-2-thiophenyl]-2-methylsulfonyl-3-(phenylmethyl)heptanoic acid IUPAC Name: 2-amino-3-benzyl-4-[3-(hydroxymethyl)thiophen-2-yl]-2-methylsulfonylheptanoic acid Traditional Name: 2-amino-3-benzyl-2-mesyl-4-(3-methylol-2-thienyl)enanthic acid Formula: C20H27NO5S2 MolecularWeight: 425.56208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=CS1)CO)C(CC2=CC=CC=C2)C(C(=O)O)(N)S(=O)(=O)C

Isomeric SMILES

CCCC(C1=C(C=CS1)CO)C(CC2=CC=CC=C2)C(C(=O)O)(N)S(=O)(=O)C

InChI

InChI=1S/C20H27NO5S2/c1-3-7-16(18-15(13-22)10-11-27-18)17(12-14-8-5-4-6-9-14)20(21,19(23)24)28(2,25)26/h4-6,8-11,16-17,22H,3,7,12-13,21H2,1-2H3,(H,23,24)