[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(indan-5-ylamino)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-(indan-5-ylamino)-2-keto-ethyl] ester Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC2=C(CCC2)C=C1)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC2=C(CCC2)C=C1)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H32N2O4/c1-15(26-24(30)25-11-16-7-17(12-25)9-18(8-16)13-25)23(29)31-14-22(28)27-21-6-5-19-3-2-4-20(19)10-21/h5-6,10,15-18H,2-4,7-9,11-14H2,1H3,(H,26,30)(H,27,28)/t15-,16?,17?,18?,25?/m0/s1