2-azanyl-2-methylsulfonyl-4-(1-oxidanyl-2-phenyl-ethyl)-3-(phenylmethyl)heptanoic acid

Systemtic Name: 2-azanyl-2-methylsulfonyl-4-(1-oxidanyl-2-phenyl-ethyl)-3-(phenylmethyl)heptanoic acid Openeye Name: 2-amino-3-benzyl-4-(1-hydroxy-2-phenyl-ethyl)-2-methylsulfonyl-heptanoic acid CAS Name: 2-amino-4-(1-hydroxy-2-phenylethyl)-2-methylsulfonyl-3-(phenylmethyl)heptanoic acid IUPAC Name: 2-amino-3-benzyl-4-(1-hydroxy-2-phenylethyl)-2-methylsulfonylheptanoic acid Traditional Name: 2-amino-3-benzyl-4-(1-hydroxy-2-phenyl-ethyl)-2-mesyl-enanthic acid Formula: C23H31NO5S MolecularWeight: 433.56094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC1=CC=CC=C1)C(C(=O)O)(N)S(=O)(=O)C)C(CC2=CC=CC=C2)O

Isomeric SMILES

CCCC(C(CC1=CC=CC=C1)C(C(=O)O)(N)S(=O)(=O)C)C(CC2=CC=CC=C2)O

InChI

InChI=1S/C23H31NO5S/c1-3-10-19(21(25)16-18-13-8-5-9-14-18)20(15-17-11-6-4-7-12-17)23(24,22(26)27)30(2,28)29/h4-9,11-14,19-21,25H,3,10,15-16,24H2,1-2H3,(H,26,27)