[(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (2S)-3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: [(2R)-1-(1-adamantylamino)-1-oxidanylidene-propan-2-yl] (2S)-3-phenyl-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: [(1R)-2-(1-adamantylamino)-1-methyl-2-oxo-ethyl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate CAS Name: (2S)-2-[[oxo(thiophen-2-yl)methyl]amino]-3-phenylpropanoic acid [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1-adamantylamino)-1-oxopropan-2-yl] (2S)-3-phenyl-2-(thiophene-2-carbonylamino)propanoate Traditional Name: (2S)-3-phenyl-2-(2-thenoylamino)propionic acid [(1R)-2-(1-adamantylamino)-2-keto-1-methyl-ethyl] ester Formula: C27H32N2O4S MolecularWeight: 480.61898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)C(CC4=CC=CC=C4)NC(=O)C5=CC=CS5

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)OC(=O)[C@H](CC4=CC=CC=C4)NC(=O)C5=CC=CS5

InChI

InChI=1S/C27H32N2O4S/c1-17(24(30)29-27-14-19-10-20(15-27)12-21(11-19)16-27)33-26(32)22(13-18-6-3-2-4-7-18)28-25(31)23-8-5-9-34-23/h2-9,17,19-22H,10-16H2,1H3,(H,28,31)(H,29,30)/t17-,19?,20?,21?,22+,27?/m1/s1