(2R)-4-methylsulfanyl-2-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]butanoic acid

Systemtic Name: (2R)-4-methylsulfanyl-2-[(3-phenyl-2,1-benzoxazol-5-yl)carbonylamino]butanoic acid Openeye Name: (2R)-4-methylsulfanyl-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanoic acid CAS Name: (2R)-4-(methylthio)-2-[[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]amino]butanoic acid IUPAC Name: (2R)-4-methylsulfanyl-2-[(3-phenyl-2,1-benzoxazole-5-carbonyl)amino]butanoic acid Traditional Name: (2R)-4-(methylthio)-2-[(3-phenylanthranil-5-carbonyl)amino]butyric acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

Isomeric SMILES

CSCC[C@H](C(=O)O)NC(=O)C1=CC2=C(ON=C2C=C1)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2O4S/c1-26-10-9-16(19(23)24)20-18(22)13-7-8-15-14(11-13)17(25-21-15)12-5-3-2-4-6-12/h2-8,11,16H,9-10H2,1H3,(H,20,22)(H,23,24)/t16-/m1/s1