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

Systemtic Name: (phenylmethyl) 4-[[1-[[2-(4-nitrophenoxy)-2-oxidanylidene-ethyl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-3-(phenylmethoxycarbonylamino)butanoate Openeye Name: benzyl 3-(benzyloxycarbonylamino)-4-[[1-(hydroxymethyl)-2-[[2-(4-nitrophenoxy)-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: 4-[[3-hydroxy-1-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[[3-hydroxy-1-[[2-(4-nitrophenoxy)-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate Traditional Name: 3-(benzyloxycarbonylamino)-4-keto-4-[[2-keto-2-[[2-keto-2-(4-nitrophenoxy)ethyl]amino]-1-methylol-ethyl]amino]butyric acid benzyl ester Formula: C30H30N4O11 MolecularWeight: 622.5794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C(=O)NC(CO)C(=O)NCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC(C(=O)NC(CO)C(=O)NCC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H30N4O11/c35-17-25(28(38)31-16-27(37)45-23-13-11-22(12-14-23)34(41)42)32-29(39)24(15-26(36)43-18-20-7-3-1-4-8-20)33-30(40)44-19-21-9-5-2-6-10-21/h1-14,24-25,35H,15-19H2,(H,31,38)(H,32,39)(H,33,40)