3-azanyl-5-methylsulfanyl-2-oxidanyl-N-[2-(4-phenoxyphenyl)ethyl]pentanamide hydrochloride

Systemtic Name: 3-azanyl-5-methylsulfanyl-2-oxidanyl-N-[2-(4-phenoxyphenyl)ethyl]pentanamide hydrochloride Openeye Name: 3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-phenoxyphenyl)ethyl]pentanamide hydrochloride CAS Name: 3-amino-2-hydroxy-5-(methylthio)-N-[2-(4-phenoxyphenyl)ethyl]pentanamide hydrochloride IUPAC Name: 3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-phenoxyphenyl)ethyl]pentanamide hydrochloride Traditional Name: 3-amino-2-hydroxy-5-(methylthio)-N-[2-(4-phenoxyphenyl)ethyl]valeramide hydrochloride Formula: C20H27ClN2O3S MolecularWeight: 410.95798

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(C(=O)NCCC1=CC=C(C=C1)OC2=CC=CC=C2)O)N.Cl

Isomeric SMILES

CSCCC(C(C(=O)NCCC1=CC=C(C=C1)OC2=CC=CC=C2)O)N.Cl

InChI

InChI=1S/C20H26N2O3S.ClH/c1-26-14-12-18(21)19(23)20(24)22-13-11-15-7-9-17(10-8-15)25-16-5-3-2-4-6-16;/h2-10,18-19,23H,11-14,21H2,1H3,(H,22,24);1H