dimethyl (2S)-2-[[(2S)-2-acetamido-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-6-oxidanylidene-heptanedioate

Systemtic Name: dimethyl (2S)-2-[[(2S)-2-acetamido-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-6-oxidanylidene-heptanedioate Openeye Name: dimethyl (2S)-2-[[(2S)-2-acetamido-4-benzyloxy-4-oxo-butanoyl]amino]-6-oxo-heptanedioate CAS Name: (2S)-2-[[(2S)-2-acetamido-1,4-dioxo-4-phenylmethoxybutyl]amino]-6-oxoheptanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[(2S)-2-acetamido-4-oxo-4-phenylmethoxybutanoyl]amino]-6-oxoheptanedioate Traditional Name: (2S)-2-[[(2S)-2-acetamido-4-benzoxy-4-keto-butanoyl]amino]-6-keto-pimelic acid dimethyl ester Formula: C22H28N2O9 MolecularWeight: 464.46572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)NC(CCCC(=O)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](CCCC(=O)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H28N2O9/c1-14(25)23-17(12-19(27)33-13-15-8-5-4-6-9-15)20(28)24-16(21(29)31-2)10-7-11-18(26)22(30)32-3/h4-6,8-9,16-17H,7,10-13H2,1-3H3,(H,23,25)(H,24,28)/t16-,17-/m0/s1