methyl (2S)-2-[[(2S)-2-benzamido-3-(3-nitro-4-oxidanyl-phenyl)propanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-benzamido-3-(3-nitro-4-oxidanyl-phenyl)propanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-benzamido-3-(4-hydroxy-3-nitro-phenyl)propanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-benzamido-3-(4-hydroxy-3-nitrophenyl)-1-oxopropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-benzamido-3-(4-hydroxy-3-nitrophenyl)propanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-benzamido-3-(4-hydroxy-3-nitro-phenyl)propanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C26H25N3O7 MolecularWeight: 491.4926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC(=C(C=C2)O)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC(=C(C=C2)O)[N+](=O)[O-])NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H25N3O7/c1-36-26(33)21(14-17-8-4-2-5-9-17)28-25(32)20(27-24(31)19-10-6-3-7-11-19)15-18-12-13-23(30)22(16-18)29(34)35/h2-13,16,20-21,30H,14-15H2,1H3,(H,27,31)(H,28,32)/t20-,21-/m0/s1