(3S)-3-(1-adamantylcarbonylamino)-3-(4-phenylmethoxyphenyl)propanoic acid

Systemtic Name: (3S)-3-(1-adamantylcarbonylamino)-3-(4-phenylmethoxyphenyl)propanoic acid Openeye Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-benzyloxyphenyl)propanoic acid CAS Name: (3S)-3-[[1-adamantyl(oxo)methyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid IUPAC Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-phenylmethoxyphenyl)propanoic acid Traditional Name: (3S)-3-(adamantane-1-carbonylamino)-3-(4-benzoxyphenyl)propionic acid Formula: C27H31NO4 MolecularWeight: 433.53934

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(CC(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)N[C@@H](CC(=O)O)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H31NO4/c29-25(30)13-24(22-6-8-23(9-7-22)32-17-18-4-2-1-3-5-18)28-26(31)27-14-19-10-20(15-27)12-21(11-19)16-27/h1-9,19-21,24H,10-17H2,(H,28,31)(H,29,30)/t19?,20?,21?,24-,27?/m0/s1