(phenylmethyl) (2S)-4-oxidanylidene-4-[[(2S)-3-oxidanyl-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-2-(phenylmethoxycarbonylamino)butanoate

Systemtic Name: (phenylmethyl) (2S)-4-oxidanylidene-4-[[(2S)-3-oxidanyl-1-oxidanylidene-1-phenylmethoxy-propan-2-yl]amino]-2-(phenylmethoxycarbonylamino)butanoate Openeye Name: benzyl (2S)-2-(benzyloxycarbonylamino)-4-[[(1S)-2-benzyloxy-1-(hydroxymethyl)-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: (2S)-4-[[(2S)-3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-4-[[(2S)-3-hydroxy-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxo-2-(phenylmethoxycarbonylamino)butanoate Traditional Name: (2S)-4-[[(1S)-2-benzoxy-2-keto-1-methylol-ethyl]amino]-2-(benzyloxycarbonylamino)-4-keto-butyric acid benzyl ester Formula: C29H30N2O8 MolecularWeight: 534.5571

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CC(=O)NC(CO)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[C@H](CC(=O)N[C@@H](CO)C(=O)OCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C29H30N2O8/c32-17-25(28(35)38-19-22-12-6-2-7-13-22)30-26(33)16-24(27(34)37-18-21-10-4-1-5-11-21)31-29(36)39-20-23-14-8-3-9-15-23/h1-15,24-25,32H,16-20H2,(H,30,33)(H,31,36)/t24-,25-/m0/s1