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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O8/c1-4-9(2)15(16(20)21)18-17(22)25-7-10(3)11-5-13-14(27-8-26-13)6-12(11)19(23)24/h5-6,9-10,15H,4,7-8H2,1-3H3,(H,18,22)(H,20,21)/t9-,10?,15-/m0/s1