2-azanyl-3-methyl-pentanoic acid; (phenylmethyl) 1-(4-methylpentyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylate

Systemtic Name: 2-azanyl-3-methyl-pentanoic acid; (phenylmethyl) 1-(4-methylpentyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylate Openeye Name: 2-amino-3-methyl-pentanoic acid; benzyl 2-(tert-butoxycarbonylamino)-1-isohexyl-pyrrolidine-2-carboxylate CAS Name: 2-amino-3-methylpentanoic acid; 1-(4-methylpentyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: 2-amino-3-methylpentanoic acid; benzyl 1-(4-methylpentyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-2-carboxylate Traditional Name: 2-amino-3-methyl-valeric acid; 2-(tert-butoxycarbonylamino)-1-isohexyl-pyrrolidine-2-carboxylic acid benzyl ester Formula: C29H49N3O6 MolecularWeight: 535.71586

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N.CC(C)CCCN1CCCC1(C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C(C(=O)O)N.CC(C)CCCN1CCCC1(C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H36N2O4.C6H13NO2/c1-18(2)11-9-15-25-16-10-14-23(25,24-21(27)29-22(3,4)5)20(26)28-17-19-12-7-6-8-13-19;1-3-4(2)5(7)6(8)9/h6-8,12-13,18H,9-11,14-17H2,1-5H3,(H,24,27);4-5H,3,7H2,1-2H3,(H,8,9)