methyl 4-methyl-2-[2-(phenylmethoxycarbonylamino)pentanoylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[2-(phenylmethoxycarbonylamino)pentanoylamino]pentanoate Openeye Name: methyl 2-[2-(benzyloxycarbonylamino)pentanoylamino]-4-methyl-pentanoate CAS Name: 4-methyl-2-[[1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[2-(phenylmethoxycarbonylamino)pentanoylamino]pentanoate Traditional Name: 2-[2-(benzyloxycarbonylamino)pentanoylamino]-4-methyl-valeric acid methyl ester Formula: C20H30N2O5 MolecularWeight: 378.4626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O5/c1-5-9-16(18(23)21-17(12-14(2)3)19(24)26-4)22-20(25)27-13-15-10-7-6-8-11-15/h6-8,10-11,14,16-17H,5,9,12-13H2,1-4H3,(H,21,23)(H,22,25)