918314-38-2
2H-Isoindole-2-acetic acid, α-(3-amino-3-oxopropyl)-1,3-dihydro-4-nitro-1,3-dioxo-, 1,1-dimethylethyl ester, (αS)-
Name2H-Isoindole-2-acetic acid, α-(3-amino-3-oxopropyl)-1,3-dihydro-4-nitro-1,3-dioxo-, 1,1-dimethylethyl ester, (αS)-
1Identification
【Name】
2H-Isoindole-2-acetic acid, α-(3-amino-3-oxopropyl)-1,3-dihydro-4-nitro-1,3-dioxo-, 1,1-dimethylethyl ester, (αS)-
【CAS】
【MDL】
【English Synonyms】
【Formula】
C17H19N3O7
【MolWeight】
377.3487
【Inchi】
InChI=1S/C17H19N3O7/c1-17(2,3)27-16(24)11(7-8-12(18)21)19-14(22)9-5-4-6-10(20(25)26)13(9)15(19)23/h4-6,11H,7-8H2,1-3H3,(H2,18,21)/t11-/m0/s1
【InChIKey】
InChIKey=APHMBIWVEOUJMS-NSHDSACASA-N
【SMILES】
NC(CC[C@@H](C(=O)OC(C)(C)C)N1C(C2=CC=CC(=C2C1=O)[N+](=O)[O-])=O)=O
【MOL File】
2H-Isoindole-2-aceti….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
2H-Isoindole-2-acetic acid, α-(3-amino-3-oxopropyl)-1,3-dihydro-4-nitro-1,3-dioxo-, 1,1-dimethylethyl ester, (αS)-.cml