(2S)-4-methyl-2-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]pentanoic acid Openeye Name: (2S)-4-methyl-2-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]pentanoic acid CAS Name: (2S)-4-methyl-2-[[2-(6-nitro-1,3-benzodioxol-5-yl)propoxy-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]pentanoic acid Traditional Name: (2S)-4-methyl-2-[2-(6-nitro-1,3-benzodioxol-5-yl)propoxycarbonylamino]valeric acid Formula: C17H22N2O8 MolecularWeight: 382.36518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)OCC(C)C1=CC2=C(C=C1[N+](=O)[O-])OCO2

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)OCC(C)C1=CC2=C(C=C1[N+](=O)[O-])OCO2

InChI

InChI=1S/C17H22N2O8/c1-9(2)4-12(16(20)21)18-17(22)25-7-10(3)11-5-14-15(27-8-26-14)6-13(11)19(23)24/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,18,22)(H,20,21)/t10?,12-/m0/s1