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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic 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)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C20H31N3O5 MolecularWeight: 393.47724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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/C20H31N3O5/c1-10(2)15(16(24)23-19(21)27)28-17(25)11(3)22-18(26)20-7-12-4-13(8-20)6-14(5-12)9-20/h10-15H,4-9H2,1-3H3,(H,22,26)(H3,21,23,24,27)/t11-,12?,13?,14?,15+,20?/m0/s1