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

Systemtic Name: (2S)-3-[3-(1-adamantyloxymethyl)imidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-3-[3-(1-adamantyloxymethyl)imidazol-4-yl]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: (2S)-3-[3-(1-adamantyloxymethyl)-4-imidazolyl]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-[3-(1-adamantyloxymethyl)imidazol-4-yl]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-3-[3-(1-adamantyloxymethyl)imidazol-4-yl]-2-(benzyloxycarbonylamino)propionic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OCN4C=NC=C4CC(C(=O)O)NC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OCN4C=NC=C4C[C@@H](C(=O)O)NC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C25H31N3O5/c29-23(30)22(27-24(31)32-14-17-4-2-1-3-5-17)9-21-13-26-15-28(21)16-33-25-10-18-6-19(11-25)8-20(7-18)12-25/h1-5,13,15,18-20,22H,6-12,14,16H2,(H,27,31)(H,29,30)/t18?,19?,20?,22-,25?/m0/s1