bis(1H-imidazol-2-yl)methanone; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid

Systemtic Name: bis(1H-imidazol-2-yl)methanone; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoic acid Openeye Name: bis(1H-imidazol-2-yl)methanone; (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoic acid CAS Name: bis(1H-imidazol-2-yl)methanone; (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: bis(1H-imidazol-2-yl)methanone; (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoic acid Traditional Name: bis(1H-imidazol-2-yl)methanone; (2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propionic acid Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)O.C1=CN=C(N1)C(=O)C2=NC=CN2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O.C1=CN=C(N1)C(=O)C2=NC=CN2

InChI

InChI=1S/C14H19NO4.C7H6N4O/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10;12-5(6-8-1-2-9-6)7-10-3-4-11-7/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17);1-4H,(H,8,9)(H,10,11)/t11-;/m0./s1