(2S)-2-[2-[2-[(4-nitrophenyl)carbonylamino]ethanoylamino]ethanoylamino]-3-phenyl-propanoate

Systemtic Name: (2S)-2-[2-[2-[(4-nitrophenyl)carbonylamino]ethanoylamino]ethanoylamino]-3-phenyl-propanoate Openeye Name: (2S)-2-[[2-[[2-[(4-nitrobenzoyl)amino]acetyl]amino]acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[2-[[2-[[(4-nitrophenyl)-oxomethyl]amino]-1-oxoethyl]amino]-1-oxoethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-[[2-[[2-[(4-nitrobenzoyl)amino]acetyl]amino]acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-[[2-[(4-nitrobenzoyl)amino]acetyl]amino]acetyl]amino]-3-phenyl-propionate Formula: C20H19N4O7- MolecularWeight: 427.38746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O7/c25-17(11-22-19(27)14-6-8-15(9-7-14)24(30)31)21-12-18(26)23-16(20(28)29)10-13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,21,25)(H,22,27)(H,23,26)(H,28,29)/p-1/t16-/m0/s1