4-[2-[(2-azanyl-3-methyl-3-sulfanyl-butanoyl)amino]ethanoylamino]-2-oxidanyl-benzoic acid

Systemtic Name: 4-[2-[(2-azanyl-3-methyl-3-sulfanyl-butanoyl)amino]ethanoylamino]-2-oxidanyl-benzoic acid Openeye Name: 4-[[2-[(2-amino-3-methyl-3-sulfanyl-butanoyl)amino]acetyl]amino]-2-hydroxy-benzoic acid CAS Name: 4-[[2-[(2-amino-3-mercapto-3-methyl-1-oxobutyl)amino]-1-oxoethyl]amino]-2-hydroxybenzoic acid IUPAC Name: 4-[[2-[(2-amino-3-methyl-3-sulfanylbutanoyl)amino]acetyl]amino]-2-hydroxybenzoic acid Traditional Name: 4-[[2-[(2-amino-3-mercapto-3-methyl-butanoyl)amino]acetyl]amino]-2-hydroxy-benzoic acid Formula: C14H19N3O5S MolecularWeight: 341.38276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)NCC(=O)NC1=CC(=C(C=C1)C(=O)O)O)N)S

Isomeric SMILES

CC(C)(C(C(=O)NCC(=O)NC1=CC(=C(C=C1)C(=O)O)O)N)S

InChI

InChI=1S/C14H19N3O5S/c1-14(2,23)11(15)12(20)16-6-10(19)17-7-3-4-8(13(21)22)9(18)5-7/h3-5,11,18,23H,6,15H2,1-2H3,(H,16,20)(H,17,19)(H,21,22)