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

Systemtic Name: 3-azanyl-5-[2-chloranyl-4-(3-phenylmethoxyphenyl)sulfanyl-phenyl]-2-(3-oxidanylpropyl)pentanoic acid Openeye Name: 3-amino-5-[4-(3-benzyloxyphenyl)sulfanyl-2-chloro-phenyl]-2-(3-hydroxypropyl)pentanoic acid CAS Name: 3-amino-5-[2-chloro-4-[(3-phenylmethoxyphenyl)thio]phenyl]-2-(3-hydroxypropyl)pentanoic acid IUPAC Name: 3-amino-5-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]-2-(3-hydroxypropyl)pentanoic acid Traditional Name: 3-amino-5-[4-[(3-benzoxyphenyl)thio]-2-chloro-phenyl]-2-(3-hydroxypropyl)valeric acid Formula: C27H30ClNO4S MolecularWeight: 500.0494

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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(C(CCCO)C(=O)O)N)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClNO4S/c28-25-17-23(13-11-20(25)12-14-26(29)24(27(31)32)10-5-15-30)34-22-9-4-8-21(16-22)33-18-19-6-2-1-3-7-19/h1-4,6-9,11,13,16-17,24,26,30H,5,10,12,14-15,18,29H2,(H,31,32)