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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)OC)NC(=O)[C@H](CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2)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(25(29)30)9-10-20(17)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