[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (3S)-3-phenylbutanoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] (3S)-3-phenylbutanoate CAS Name: (3S)-3-phenylbutanoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3S)-3-phenylbutanoate Traditional Name: (3S)-3-phenylbutyric acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4/c1-4-13(3)18-17(22)19-15(20)11-23-16(21)10-12(2)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H2,18,19,20,22)/t12-,13-/m0/s1