(phenylmethyl) 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-3-phenyl-propanoate Openeye Name: benzyl 2-[[2-(tert-butoxycarbonylamino)-3-methyl-pentyl]amino]-3-phenyl-propanoate CAS Name: 2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-methyl-pentyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CNC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C(CNC(CC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H38N2O4/c1-6-20(2)24(29-26(31)33-27(3,4)5)18-28-23(17-21-13-9-7-10-14-21)25(30)32-19-22-15-11-8-12-16-22/h7-16,20,23-24,28H,6,17-19H2,1-5H3,(H,29,31)