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

Systemtic Name: methyl 3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxidanylidene-pentanoate Openeye Name: methyl 3-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-oxo-pentanoate CAS Name: 3-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-2-oxopentanoic acid methyl ester IUPAC Name: methyl 3-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-2-oxopentanoate Traditional Name: 3-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-2-keto-valeric acid methyl ester Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O6/c1-5-15(17(23)19(25)27-4)21-18(24)16(11-13(2)3)22-20(26)28-12-14-9-7-6-8-10-14/h6-10,13,15-16H,5,11-12H2,1-4H3,(H,21,24)(H,22,26)