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

Systemtic Name: 3-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-3-(hydroxymethyl)pentanoic acid Openeye Name: 3-amino-5-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-3-(hydroxymethyl)pentanoic acid CAS Name: 3-amino-5-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-3-(hydroxymethyl)pentanoic acid IUPAC Name: 3-amino-5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-3-(hydroxymethyl)pentanoic acid Traditional Name: 3-amino-5-[4-[(3-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(=CC=C2)SC3=CC(=C(C=C3)CCC(CC(=O)O)(CO)N)Cl

Isomeric SMILES

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

InChI

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