4-(1,3-benzodioxol-5-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-butanoic acid

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-butanoic acid Openeye Name: 4-(1,3-benzodioxol-5-yl)-3-(tert-butoxycarbonylamino)-2-hydroxy-butanoic acid CAS Name: 4-(1,3-benzodioxol-5-yl)-2-hydroxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: 4-(1,3-benzodioxol-5-yl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: 4-(1,3-benzodioxol-5-yl)-3-(tert-butoxycarbonylamino)-2-hydroxy-butyric acid Formula: C16H21NO7 MolecularWeight: 339.34044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC2=C(C=C1)OCO2)C(C(=O)O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC2=C(C=C1)OCO2)C(C(=O)O)O

InChI

InChI=1S/C16H21NO7/c1-16(2,3)24-15(21)17-10(13(18)14(19)20)6-9-4-5-11-12(7-9)23-8-22-11/h4-5,7,10,13,18H,6,8H2,1-3H3,(H,17,21)(H,19,20)