(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid; 4-(phenylmethyl)piperazine-1-carboxamide

Systemtic Name: (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid; 4-(phenylmethyl)piperazine-1-carboxamide Openeye Name: 4-benzylpiperazine-1-carboxamide; (2R)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoic acid CAS Name: (2R)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid; 4-(phenylmethyl)-1-piperazinecarboxamide IUPAC Name: 4-benzylpiperazine-1-carboxamide; (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid Traditional Name: 4-benzylpiperazine-1-carboxamide; (2R)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid Formula: C26H36N4O5 MolecularWeight: 484.58784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O.C1CN(CCN1CC2=CC=CC=C2)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)O.C1CN(CCN1CC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C14H19NO4.C12H17N3O/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;13-12(16)15-8-6-14(7-9-15)10-11-4-2-1-3-5-11/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);1-5H,6-10H2,(H2,13,16)/t11-;/m1./s1