dimethyl-[(2S)-2-[3-[(4-nitrophenyl)carbonylamino]propanoylamino]-2-phenyl-ethyl]azanium

Systemtic Name: dimethyl-[(2S)-2-[3-[(4-nitrophenyl)carbonylamino]propanoylamino]-2-phenyl-ethyl]azanium Openeye Name: dimethyl-[(2S)-2-[3-[(4-nitrobenzoyl)amino]propanoylamino]-2-phenyl-ethyl]ammonium CAS Name: dimethyl-[(2S)-2-[[3-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-2-phenylethyl]ammonium IUPAC Name: dimethyl-[(2S)-2-[3-[(4-nitrobenzoyl)amino]propanoylamino]-2-phenylethyl]azanium Traditional Name: dimethyl-[(2S)-2-[3-[(4-nitrobenzoyl)amino]propanoylamino]-2-phenyl-ethyl]ammonium Formula: C20H25N4O4+ MolecularWeight: 385.4369

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC(C1=CC=CC=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[NH+](C)C[C@H](C1=CC=CC=C1)NC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4/c1-23(2)14-18(15-6-4-3-5-7-15)22-19(25)12-13-21-20(26)16-8-10-17(11-9-16)24(27)28/h3-11,18H,12-14H2,1-2H3,(H,21,26)(H,22,25)/p+1/t18-/m1/s1