[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]propanoylamino] benzoate

Systemtic Name: [2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]propanoylamino] benzoate Openeye Name: [2-[2-[2-(tert-butoxycarbonylamino)propanoylamino]propanoylamino]propanoylamino] benzoate CAS Name: benzoic acid [[2-[[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino] ester IUPAC Name: [2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoylamino]propanoylamino] benzoate Traditional Name: benzoic acid [2-[2-[2-(tert-butoxycarbonylamino)propanoylamino]propanoylamino]propanoylamino] ester Formula: C21H30N4O7 MolecularWeight: 450.4855

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)NOC(=O)C1=CC=CC=C1)NC(=O)C(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)NC(C)C(=O)NOC(=O)C1=CC=CC=C1)NC(=O)C(C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H30N4O7/c1-12(22-17(27)13(2)24-20(30)31-21(4,5)6)16(26)23-14(3)18(28)25-32-19(29)15-10-8-7-9-11-15/h7-14H,1-6H3,(H,22,27)(H,23,26)(H,24,30)(H,25,28)