[(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S,3S)-2-benzamido-3-methyl-pentanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S,3S)-2-benzamido-3-methyl-pentanoate Openeye Name: [(1R)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] (2S,3S)-2-benzamido-3-methyl-pentanoate CAS Name: (2S,3S)-2-benzamido-3-methylpentanoic acid [(2R)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (2S,3S)-2-benzamido-3-methylpentanoate Traditional Name: (2S,3S)-2-benzamido-3-methyl-valeric acid [(1R)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H29N3O5 MolecularWeight: 391.46136

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC(C)C(=O)NC(=O)NC(C)C)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O[C@H](C)C(=O)NC(=O)NC(C)C)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C20H29N3O5/c1-6-13(4)16(22-18(25)15-10-8-7-9-11-15)19(26)28-14(5)17(24)23-20(27)21-12(2)3/h7-14,16H,6H2,1-5H3,(H,22,25)(H2,21,23,24,27)/t13-,14+,16-/m0/s1