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

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-3-(2-nitro-5-phenylmethoxy-phenyl)propanoyl]amino]propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-amino-3-(5-benzyloxy-2-nitro-phenyl)propanoyl]amino]propanoate CAS Name: (2S)-2-[[(2S)-2-amino-3-(2-nitro-5-phenylmethoxyphenyl)-1-oxopropyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-3-(2-nitro-5-phenylmethoxyphenyl)propanoyl]amino]propanoate Traditional Name: (2S)-2-[[(2S)-2-amino-3-(5-benzoxy-2-nitro-phenyl)propanoyl]amino]propionic acid methyl ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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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-])N

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O6/c1-13(20(25)28-2)22-19(24)17(21)11-15-10-16(8-9-18(15)23(26)27)29-12-14-6-4-3-5-7-14/h3-10,13,17H,11-12,21H2,1-2H3,(H,22,24)/t13-,17-/m0/s1