[(2S)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [(2S)-1-oxo-1-[(4-phenyl-2-thiazolyl)amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [(1S)-2-keto-1-methyl-2-[(4-phenylthiazol-2-yl)amino]ethyl] ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)NC1=NC(=CS1)C2=CC=CC=C2)OC(=O)CNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H29N3O4S/c1-15(22(30)28-24-27-20(14-33-24)19-5-3-2-4-6-19)32-21(29)13-26-23(31)25-10-16-7-17(11-25)9-18(8-16)12-25/h2-6,14-18H,7-13H2,1H3,(H,26,31)(H,27,28,30)/t15-,16?,17?,18?,25?/m0/s1