(2S,3S)-3-(2-azanyl-5-cyclopentyloxy-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid

Systemtic Name: (2S,3S)-3-(2-azanyl-5-cyclopentyloxy-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoic acid Openeye Name: (2S,3S)-3-[2-amino-5-(cyclopentoxy)phenyl]sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid CAS Name: (2S,3S)-3-[(2-amino-5-cyclopentyloxyphenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid IUPAC Name: (2S,3S)-3-(2-amino-5-cyclopentyloxyphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoic acid Traditional Name: (2S,3S)-3-[[2-amino-5-(cyclopentoxy)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C(=O)O)O)SC2=C(C=CC(=C2)OC3CCCC3)N

Isomeric SMILES

COC1=CC=C(C=C1)[C@@H]([C@H](C(=O)O)O)SC2=C(C=CC(=C2)OC3CCCC3)N

InChI

InChI=1S/C21H25NO5S/c1-26-14-8-6-13(7-9-14)20(19(23)21(24)25)28-18-12-16(10-11-17(18)22)27-15-4-2-3-5-15/h6-12,15,19-20,23H,2-5,22H2,1H3,(H,24,25)/t19-,20+/m1/s1