[2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-(1-adamantylcarbamoylamino)-2-oxidanylidene-ethyl] (2S)-2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(1-adamantylcarbamoylamino)-2-oxo-ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid [2-[[(1-adamantylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylcarbamoylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(2-furoylamino)-3-phenyl-propionic acid [2-(1-adamantylcarbamoylamino)-2-keto-ethyl] ester Formula: C27H31N3O6 MolecularWeight: 493.55154

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)C(CC4=CC=CC=C4)NC(=O)C5=CC=CO5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NC(=O)COC(=O)[C@H](CC4=CC=CC=C4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C27H31N3O6/c31-23(29-26(34)30-27-13-18-9-19(14-27)11-20(10-18)15-27)16-36-25(33)21(12-17-5-2-1-3-6-17)28-24(32)22-7-4-8-35-22/h1-8,18-21H,9-16H2,(H,28,32)(H2,29,30,31,34)/t18?,19?,20?,21-,27?/m0/s1