[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] (2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C22H35N3O5 MolecularWeight: 421.5304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C(C)C)C(=O)NC(=O)N)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O5/c1-11(2)16(19(27)30-17(12(3)4)18(26)25-21(23)29)24-20(28)22-8-13-5-14(9-22)7-15(6-13)10-22/h11-17H,5-10H2,1-4H3,(H,24,28)(H3,23,25,26,29)/t13?,14?,15?,16-,17+,22?/m0/s1