4-methylsulfanyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamoylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[oxo-[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]methyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamoylamino]butyric acid Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CN=CC=C3

Isomeric SMILES

CSCCC(C(=O)O)NC(=O)NC1=CC2=C(C=C1)OC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C18H18N4O4S/c1-27-8-6-13(17(23)24)22-18(25)20-12-4-5-15-14(9-12)21-16(26-15)11-3-2-7-19-10-11/h2-5,7,9-10,13H,6,8H2,1H3,(H,23,24)(H2,20,22,25)