[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C22H35N3O5 MolecularWeight: 421.5304

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C(C(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C22H35N3O5/c1-4-5-23-21(29)24-17(26)12-30-19(27)18(13(2)3)25-20(28)22-9-14-6-15(10-22)8-16(7-14)11-22/h13-16,18H,4-12H2,1-3H3,(H,25,28)(H2,23,24,26,29)/t14?,15?,16?,18-,22?/m0/s1