ethyl 3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxidanylidene-pentanoate

Systemtic Name: ethyl 3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxidanylidene-pentanoate Openeye Name: ethyl 3-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-oxo-pentanoate CAS Name: 3-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-2-oxopentanoic acid ethyl ester IUPAC Name: ethyl 3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxopentanoate Traditional Name: 3-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-keto-valeric acid ethyl ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O6/c1-5-16(18(24)20(26)28-6-2)22-19(25)17(12-14(3)4)23-21(27)29-13-15-10-8-7-9-11-15/h7-11,14,16-17H,5-6,12-13H2,1-4H3,(H,22,25)(H,23,27)