(2S)-3-[1-(2-adamantyloxycarbonyl)imidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[1-(2-adamantyloxycarbonyl)imidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-3-[1-(2-adamantyloxycarbonyl)imidazol-4-yl]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: (2S)-3-[1-[2-adamantyloxy(oxo)methyl]-4-imidazolyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-[1-(2-adamantyloxycarbonyl)imidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-3-[1-(2-adamantyloxycarbonyl)imidazol-4-yl]-2-(benzyloxycarbonylamino)propionic acid Formula: C25H29N3O6 MolecularWeight: 467.51426

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3OC(=O)N4C=C(N=C4)CC(C(=O)O)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3OC(=O)N4C=C(N=C4)C[C@@H](C(=O)O)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C25H29N3O6/c29-23(30)21(27-24(31)33-13-15-4-2-1-3-5-15)11-20-12-28(14-26-20)25(32)34-22-18-7-16-6-17(9-18)10-19(22)8-16/h1-5,12,14,16-19,21-22H,6-11,13H2,(H,27,31)(H,29,30)/t16?,17?,18?,19?,21-,22?/m0/s1