2-azanyl-4-methyl-pentanoic acid; carboxy 2-[5-(3-oxidanylidene-1H-isoindol-2-yl)pentyl-phenethyl-amino]ethanoate

Systemtic Name: 2-azanyl-4-methyl-pentanoic acid; carboxy 2-[5-(3-oxidanylidene-1H-isoindol-2-yl)pentyl-phenethyl-amino]ethanoate Openeye Name: 2-amino-4-methyl-pentanoic acid; carboxy 2-[5-(1-oxoisoindolin-2-yl)pentyl-phenethyl-amino]acetate CAS Name: 2-amino-4-methylpentanoic acid; 2-[5-(3-oxo-1H-isoindol-2-yl)pentyl-phenethylamino]acetic acid carboxy ester IUPAC Name: 2-amino-4-methylpentanoic acid; carboxy 2-[5-(3-oxo-1H-isoindol-2-yl)pentyl-phenethylamino]acetate Traditional Name: 2-amino-4-methyl-valeric acid; 2-[5-(1-ketoisoindolin-2-yl)pentyl-phenethyl-amino]acetic acid carboxy ester Formula: C30H41N3O7 MolecularWeight: 555.66244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N.C1C2=CC=CC=C2C(=O)N1CCCCCN(CCC3=CC=CC=C3)CC(=O)OC(=O)O

Isomeric SMILES

CC(C)CC(C(=O)O)N.C1C2=CC=CC=C2C(=O)N1CCCCCN(CCC3=CC=CC=C3)CC(=O)OC(=O)O

InChI

InChI=1S/C24H28N2O5.C6H13NO2/c27-22(31-24(29)30)18-25(16-13-19-9-3-1-4-10-19)14-7-2-8-15-26-17-20-11-5-6-12-21(20)23(26)28;1-4(2)3-5(7)6(8)9/h1,3-6,9-12H,2,7-8,13-18H2,(H,29,30);4-5H,3,7H2,1-2H3,(H,8,9)