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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[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] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(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)CCNC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O5/c1-11(2)16(17(25)23-19(21)27)28-15(24)3-4-22-18(26)20-8-12-5-13(9-20)7-14(6-12)10-20/h11-14,16H,3-10H2,1-2H3,(H,22,26)(H3,21,23,25,27)/t12?,13?,14?,16-,20?/m1/s1