methyl 3-(1H-imidazol-5-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]propanoate

Systemtic Name: methyl 3-(1H-imidazol-5-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]propanoate Openeye Name: methyl 2-[1-[(tert-butoxycarbonylamino)methyl]propylamino]-3-(1H-imidazol-5-yl)propanoate CAS Name: 3-(1H-imidazol-5-yl)-2-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butan-2-ylamino]propanoic acid methyl ester IUPAC Name: methyl 3-(1H-imidazol-5-yl)-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-ylamino]propanoate Traditional Name: 2-[1-[(tert-butoxycarbonylamino)methyl]propylamino]-3-(1H-imidazol-5-yl)propionic acid methyl ester Formula: C16H28N4O4 MolecularWeight: 340.41792

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)OC(C)(C)C)NC(CC1=CN=CN1)C(=O)OC

Isomeric SMILES

CCC(CNC(=O)OC(C)(C)C)NC(CC1=CN=CN1)C(=O)OC

InChI

InChI=1S/C16H28N4O4/c1-6-11(9-18-15(22)24-16(2,3)4)20-13(14(21)23-5)7-12-8-17-10-19-12/h8,10-11,13,20H,6-7,9H2,1-5H3,(H,17,19)(H,18,22)