3-azanyl-6-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-(3-oxidanylpropyl)hexanoic acid

Systemtic Name: 3-azanyl-6-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-(3-oxidanylpropyl)hexanoic acid Openeye Name: 3-amino-6-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-(3-hydroxypropyl)hexanoic acid CAS Name: 3-amino-6-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-(3-hydroxypropyl)hexanoic acid IUPAC Name: 3-amino-6-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-(3-hydroxypropyl)hexanoic acid Traditional Name: 3-amino-6-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-2-(3-hydroxypropyl)hexanoic acid Formula: C28H32ClNO4S MolecularWeight: 514.07598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCCC(C(CCCO)C(=O)O)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCCC(C(CCCO)C(=O)O)N)Cl

InChI

InChI=1S/C28H32ClNO4S/c29-26-18-24(15-14-21(26)9-4-13-27(30)25(28(32)33)12-6-16-31)35-23-11-5-10-22(17-23)34-19-20-7-2-1-3-8-20/h1-3,5,7-8,10-11,14-15,17-18,25,27,31H,4,6,9,12-13,16,19,30H2,(H,32,33)