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

Systemtic Name: methyl 4-methyl-2-[2-(phenylmethoxycarbonylamino)hexanoylamino]pentanoate Openeye Name: methyl 2-[2-(benzyloxycarbonylamino)hexanoylamino]-4-methyl-pentanoate CAS Name: 4-methyl-2-[[1-oxo-2-(phenylmethoxycarbonylamino)hexyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[2-(phenylmethoxycarbonylamino)hexanoylamino]pentanoate Traditional Name: 2-[2-(benzyloxycarbonylamino)hexanoylamino]-4-methyl-valeric acid methyl ester Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O5/c1-5-6-12-17(19(24)22-18(13-15(2)3)20(25)27-4)23-21(26)28-14-16-10-8-7-9-11-16/h7-11,15,17-18H,5-6,12-14H2,1-4H3,(H,22,24)(H,23,26)