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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 3-(1,3-benzoxazol-2-yl)propanoate CAS Name: 3-(1,3-benzoxazol-2-yl)propanoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(1,3-benzoxazol-2-yl)propanoate Traditional Name: 3-(1,3-benzoxazol-2-yl)propionic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CCC1=NC2=CC=CC=C2O1

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)CCC1=NC2=CC=CC=C2O1

InChI

InChI=1S/C16H19N3O5/c1-9(2)14(15(21)19-16(17)22)24-13(20)8-7-12-18-10-5-3-4-6-11(10)23-12/h3-6,9,14H,7-8H2,1-2H3,(H3,17,19,21,22)/t14-/m1/s1