(1-azanyl-15-methyl-1-oxidanylidene-hexadecan-3-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate

Systemtic Name: (1-azanyl-15-methyl-1-oxidanylidene-hexadecan-3-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoate Openeye Name: [1-(2-amino-2-oxo-ethyl)-13-methyl-tetradecyl] 2-(tert-butoxycarbonylamino)-3-phenyl-propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid (1-amino-15-methyl-1-oxohexadecan-3-yl) ester IUPAC Name: (1-amino-15-methyl-1-oxohexadecan-3-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid [1-(2-amino-2-keto-ethyl)-13-methyl-tetradecyl] ester Formula: C31H52N2O5 MolecularWeight: 532.75498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCC(CC(=O)N)OC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCCCCCCCCCCC(CC(=O)N)OC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H52N2O5/c1-24(2)18-14-11-9-7-6-8-10-12-17-21-26(23-28(32)34)37-29(35)27(22-25-19-15-13-16-20-25)33-30(36)38-31(3,4)5/h13,15-16,19-20,24,26-27H,6-12,14,17-18,21-23H2,1-5H3,(H2,32,34)(H,33,36)