(2S)-2-(1-adamantyloxycarbonylamino)-3-(3-cyanophenyl)propanoic acid

Systemtic Name: (2S)-2-(1-adamantyloxycarbonylamino)-3-(3-cyanophenyl)propanoic acid Openeye Name: (2S)-2-(1-adamantyloxycarbonylamino)-3-(3-cyanophenyl)propanoic acid CAS Name: (2S)-2-[[1-adamantyloxy(oxo)methyl]amino]-3-(3-cyanophenyl)propanoic acid IUPAC Name: (2S)-2-(1-adamantyloxycarbonylamino)-3-(3-cyanophenyl)propanoic acid Traditional Name: (2S)-2-(1-adamantyloxycarbonylamino)-3-(3-cyanophenyl)propionic acid Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)OC(=O)NC(CC4=CC=CC(=C4)C#N)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)OC(=O)N[C@@H](CC4=CC=CC(=C4)C#N)C(=O)O

InChI

InChI=1S/C21H24N2O4/c22-12-14-3-1-2-13(4-14)8-18(19(24)25)23-20(26)27-21-9-15-5-16(10-21)7-17(6-15)11-21/h1-4,15-18H,5-11H2,(H,23,26)(H,24,25)/t15?,16?,17?,18-,21?/m0/s1