methyl (2S)-2-[[(2S)-2-acetamido-3-(2-nitro-5-phenylmethoxy-phenyl)propanoyl]amino]propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-acetamido-3-(2-nitro-5-phenylmethoxy-phenyl)propanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-acetamido-3-(5-benzyloxy-2-nitro-phenyl)propanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-2-acetamido-3-(2-nitro-5-phenylmethoxyphenyl)-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-acetamido-3-(2-nitro-5-phenylmethoxyphenyl)propanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-(5-benzoxy-2-nitro-phenyl)propanoyl]amino]propionic acid methyl ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)NC(=O)C(CC1=C(C=CC(=C1)OCC2=CC=CC=C2)[N+](=O)[O-])NC(=O)C

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)[C@H](CC1=C(C=CC(=C1)OCC2=CC=CC=C2)[N+](=O)[O-])NC(=O)C

InChI

InChI=1S/C22H25N3O7/c1-14(22(28)31-3)23-21(27)19(24-15(2)26)12-17-11-18(9-10-20(17)25(29)30)32-13-16-7-5-4-6-8-16/h4-11,14,19H,12-13H2,1-3H3,(H,23,27)(H,24,26)/t14-,19-/m0/s1