(phenylmethyl) 2-[2-(2-acetamidopropanoylamino)propanoylamino]-4-methyl-pentanoate

Systemtic Name: (phenylmethyl) 2-[2-(2-acetamidopropanoylamino)propanoylamino]-4-methyl-pentanoate Openeye Name: benzyl 2-[2-(2-acetamidopropanoylamino)propanoylamino]-4-methyl-pentanoate CAS Name: 2-[[2-[(2-acetamido-1-oxopropyl)amino]-1-oxopropyl]amino]-4-methylpentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(2-acetamidopropanoylamino)propanoylamino]-4-methylpentanoate Traditional Name: 2-[2-(2-acetamidopropanoylamino)propanoylamino]-4-methyl-valeric acid benzyl ester Formula: C21H31N3O5 MolecularWeight: 405.48794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(C)NC(=O)C

Isomeric SMILES

CC(C)CC(C(=O)OCC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(C)NC(=O)C

InChI

InChI=1S/C21H31N3O5/c1-13(2)11-18(21(28)29-12-17-9-7-6-8-10-17)24-20(27)15(4)23-19(26)14(3)22-16(5)25/h6-10,13-15,18H,11-12H2,1-5H3,(H,22,25)(H,23,26)(H,24,27)