(2S)-2-azanyl-3-methyl-3-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]butanoic acid

Systemtic Name: (2S)-2-azanyl-3-methyl-3-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]butanoic acid Openeye Name: (2S)-2-amino-3-methyl-3-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]butanoic acid CAS Name: (2S)-2-amino-3-methyl-3-[[2-[oxo-(4-sulfamoylanilino)methyl]phenyl]disulfanyl]butanoic acid IUPAC Name: (2S)-2-amino-3-methyl-3-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]butanoic acid Traditional Name: (2S)-2-amino-3-methyl-3-[[2-[(4-sulfamoylphenyl)carbamoyl]phenyl]disulfanyl]butyric acid Formula: C18H21N3O5S3 MolecularWeight: 455.57144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)N)SSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC(C)([C@H](C(=O)O)N)SSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C18H21N3O5S3/c1-18(2,15(19)17(23)24)28-27-14-6-4-3-5-13(14)16(22)21-11-7-9-12(10-8-11)29(20,25)26/h3-10,15H,19H2,1-2H3,(H,21,22)(H,23,24)(H2,20,25,26)/t15-/m0/s1