2-azanyl-3-methyl-pentanoic acid; (phenylmethyl) 1-(4-methylpentyl)pyrrolidine-2-carboxylate

Systemtic Name: 2-azanyl-3-methyl-pentanoic acid; (phenylmethyl) 1-(4-methylpentyl)pyrrolidine-2-carboxylate Openeye Name: 2-amino-3-methyl-pentanoic acid; benzyl 1-isohexylpyrrolidine-2-carboxylate CAS Name: 2-amino-3-methylpentanoic acid; 1-(4-methylpentyl)-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: 2-amino-3-methylpentanoic acid; benzyl 1-(4-methylpentyl)pyrrolidine-2-carboxylate Traditional Name: 2-amino-3-methyl-valeric acid; 1-isohexylpyrrolidine-2-carboxylic acid benzyl ester Formula: C24H40N2O4 MolecularWeight: 420.5854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N.CC(C)CCCN1CCCC1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C)C(C(=O)O)N.CC(C)CCCN1CCCC1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H27NO2.C6H13NO2/c1-15(2)8-6-12-19-13-7-11-17(19)18(20)21-14-16-9-4-3-5-10-16;1-3-4(2)5(7)6(8)9/h3-5,9-10,15,17H,6-8,11-14H2,1-2H3;4-5H,3,7H2,1-2H3,(H,8,9)