2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]phenyl]carbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]benzoyl]amino]propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[[oxo-[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-piperazinyl]phenyl]methyl]amino]propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazin-1-yl]benzoyl]amino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[[4-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)piperazino]benzoyl]amino]propionic acid Formula: C23H34N6O5 MolecularWeight: 474.55326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CNC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NCCCN3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CNC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=NCCCN3)C(=O)O

InChI

InChI=1S/C23H34N6O5/c1-23(2,3)34-22(33)27-18(20(31)32)15-26-19(30)16-5-7-17(8-6-16)28-11-13-29(14-12-28)21-24-9-4-10-25-21/h5-8,18H,4,9-15H2,1-3H3,(H,24,25)(H,26,30)(H,27,33)(H,31,32)