3-azanyl-6-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-3-(hydroxymethyl)hexanoate hydrochloride

Systemtic Name: 3-azanyl-6-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-3-(hydroxymethyl)hexanoate hydrochloride Openeye Name: 3-amino-6-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-3-(hydroxymethyl)hexanoate hydrochloride CAS Name: 3-amino-6-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-3-(hydroxymethyl)hexanoate hydrochloride IUPAC Name: 3-amino-6-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-3-(hydroxymethyl)hexanoate hydrochloride Traditional Name: 3-amino-6-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-3-methylol-hexanoate hydrochloride Formula: C26H28Cl2NO4S- MolecularWeight: 521.47582

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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(CC(=O)[O-])(CO)N)Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCCC(CC(=O)[O-])(CO)N)Cl.Cl

InChI

InChI=1S/C26H28ClNO4S.ClH/c27-24-15-23(12-11-20(24)8-5-13-26(28,18-29)16-25(30)31)33-22-10-4-9-21(14-22)32-17-19-6-2-1-3-7-19;/h1-4,6-7,9-12,14-15,29H,5,8,13,16-18,28H2,(H,30,31);1H/p-1