2-azanyl-3-methyl-pentanoic acid; methyl 4-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: 2-azanyl-3-methyl-pentanoic acid; methyl 4-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: 2-amino-3-methyl-pentanoic acid; methyl 2-(benzyloxycarbonylamino)-4-methyl-pentanoate CAS Name: 2-amino-3-methylpentanoic acid; 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: 2-amino-3-methylpentanoic acid; methyl 4-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-amino-3-methyl-valeric acid; 2-(benzyloxycarbonylamino)-4-methyl-valeric acid methyl ester Formula: C21H34N2O6 MolecularWeight: 410.50446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)N.CC(C)CC(C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(C)C(C(=O)O)N.CC(C)CC(C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C15H21NO4.C6H13NO2/c1-11(2)9-13(14(17)19-3)16-15(18)20-10-12-7-5-4-6-8-12;1-3-4(2)5(7)6(8)9/h4-8,11,13H,9-10H2,1-3H3,(H,16,18);4-5H,3,7H2,1-2H3,(H,8,9)