(phenylmethyl) 7-aminocarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,21-bis(oxidanylidene)henicosanoate

Systemtic Name: (phenylmethyl) 7-aminocarbonyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,21-bis(oxidanylidene)henicosanoate Openeye Name: benzyl 5-(tert-butoxycarbonylamino)-7-carbamoyl-6,21-dioxo-henicosanoate CAS Name: 7-carbamoyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6,21-dioxoheneicosanoic acid (phenylmethyl) ester IUPAC Name: benzyl 7-carbamoyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-6,21-dioxohenicosanoate Traditional Name: 5-(tert-butoxycarbonylamino)-7-carbamoyl-6,21-diketo-heneicosanoic acid benzyl ester Formula: C34H54N2O7 MolecularWeight: 602.80176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H54N2O7/c1-34(2,3)43-33(41)36-29(23-19-24-30(38)42-26-27-20-15-14-16-21-27)31(39)28(32(35)40)22-17-12-10-8-6-4-5-7-9-11-13-18-25-37/h14-16,20-21,25,28-29H,4-13,17-19,22-24,26H2,1-3H3,(H2,35,40)(H,36,41)