(phenylmethyl) (2S)-2-[bis[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]ethyl]amino]-3-(4-nitrophenyl)propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[bis[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]amino]ethyl]amino]-3-(4-nitrophenyl)propanoate Openeye Name: benzyl (2S)-2-[bis[2-[bis(2-tert-butoxy-2-oxo-ethyl)amino]ethyl]amino]-3-(4-nitrophenyl)propanoate CAS Name: (2S)-2-[bis[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]-3-(4-nitrophenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[bis[2-[bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethyl]amino]-3-(4-nitrophenyl)propanoate Traditional Name: (2S)-2-[bis[2-[bis(2-tert-butoxy-2-keto-ethyl)amino]ethyl]amino]-3-(4-nitrophenyl)propionic acid benzyl ester Formula: C44H66N4O12 MolecularWeight: 843.01444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(CCN(CCN(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)C(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2)CC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C44H66N4O12/c1-41(2,3)57-36(49)27-45(28-37(50)58-42(4,5)6)22-24-47(25-23-46(29-38(51)59-43(7,8)9)30-39(52)60-44(10,11)12)35(26-32-18-20-34(21-19-32)48(54)55)40(53)56-31-33-16-14-13-15-17-33/h13-21,35H,22-31H2,1-12H3/t35-/m0/s1