3-azanyl-5-[2-chloranyl-4-(4-phenylmethoxyphenyl)sulfanyl-phenyl]-3-(hydroxymethyl)pentanoic acid

Systemtic Name: 3-azanyl-5-[2-chloranyl-4-(4-phenylmethoxyphenyl)sulfanyl-phenyl]-3-(hydroxymethyl)pentanoic acid Openeye Name: 3-amino-5-[4-(4-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-3-(hydroxymethyl)pentanoic acid CAS Name: 3-amino-5-[2-chloro-4-[(4-phenylmethoxyphenyl)thio]phenyl]-3-(hydroxymethyl)pentanoic acid IUPAC Name: 3-amino-5-[2-chloro-4-(4-phenylmethoxyphenyl)sulfanylphenyl]-3-(hydroxymethyl)pentanoic acid Traditional Name: 3-amino-5-[4-[(4-benzoxyphenyl)thio]-2-chloro-phenyl]-3-methylol-valeric acid Formula: C25H26ClNO4S MolecularWeight: 471.99624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)SC3=CC(=C(C=C3)CCC(CC(=O)O)(CO)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)SC3=CC(=C(C=C3)CCC(CC(=O)O)(CO)N)Cl

InChI

InChI=1S/C25H26ClNO4S/c26-23-14-22(9-6-19(23)12-13-25(27,17-28)15-24(29)30)32-21-10-7-20(8-11-21)31-16-18-4-2-1-3-5-18/h1-11,14,28H,12-13,15-17,27H2,(H,29,30)