phenacyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]ethanoate

Systemtic Name: phenacyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]ethanoate Openeye Name: phenacyl 2-[[2-(tert-butoxycarbonylamino)-3-methyl-pentanoyl]amino]acetate CAS Name: 2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopentyl]amino]acetic acid phenacyl ester IUPAC Name: phenacyl 2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]acetate Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-methyl-pentanoyl]amino]acetic acid phenacyl ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCC(=O)OCC(=O)C1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C(C(=O)NCC(=O)OCC(=O)C1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

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