(3R)-3-azanyl-5-methylsulfanyl-2-oxidanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide

Systemtic Name: (3R)-3-azanyl-5-methylsulfanyl-2-oxidanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide Openeye Name: (3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide CAS Name: (3R)-3-amino-2-hydroxy-5-(methylthio)-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide IUPAC Name: (3R)-3-amino-2-hydroxy-5-methylsulfanyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide Traditional Name: (3R)-3-amino-2-hydroxy-5-(methylthio)-N-[2-(4-sulfamoylphenyl)ethyl]valeramide Formula: C14H23N3O4S2 MolecularWeight: 361.48012

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)O)N

Isomeric SMILES

CSCC[C@H](C(C(=O)NCCC1=CC=C(C=C1)S(=O)(=O)N)O)N

InChI

InChI=1S/C14H23N3O4S2/c1-22-9-7-12(15)13(18)14(19)17-8-6-10-2-4-11(5-3-10)23(16,20)21/h2-5,12-13,18H,6-9,15H2,1H3,(H,17,19)(H2,16,20,21)/t12-,13?/m1/s1