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

Systemtic Name: 3-azanyl-6-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-3-propyl-hexanoic acid Openeye Name: 3-amino-6-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-3-propyl-hexanoic acid CAS Name: 3-amino-6-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-3-propylhexanoic acid IUPAC Name: 3-amino-6-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-3-propylhexanoic acid Traditional Name: 3-amino-6-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-3-propyl-hexanoic acid Formula: C28H32ClNO3S MolecularWeight: 498.07658

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(CC(=O)O)N

Isomeric SMILES

CCCC(CCCC1=C(C=C(C=C1)SC2=CC=CC(=C2)OCC3=CC=CC=C3)Cl)(CC(=O)O)N

InChI

InChI=1S/C28H32ClNO3S/c1-2-15-28(30,19-27(31)32)16-7-10-22-13-14-25(18-26(22)29)34-24-12-6-11-23(17-24)33-20-21-8-4-3-5-9-21/h3-6,8-9,11-14,17-18H,2,7,10,15-16,19-20,30H2,1H3,(H,31,32)