[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[2-(1-adamantyl)ethanoylamino]ethanoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate CAS Name: 2-[[2-(1-adamantyl)-1-oxoethyl]amino]acetic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-[[2-(1-adamantyl)acetyl]amino]acetate Traditional Name: 2-[[2-(1-adamantyl)acetyl]amino]acetic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)CNC(=O)CC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)CNC(=O)CC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C21H33N3O5/c1-12(2)23-20(28)24-19(27)13(3)29-18(26)11-22-17(25)10-21-7-14-4-15(8-21)6-16(5-14)9-21/h12-16H,4-11H2,1-3H3,(H,22,25)(H2,23,24,27,28)/t13-,14?,15?,16?,21?/m0/s1