[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5/c1-4-12(2)19-18(25)21-16(23)11-26-17(24)10-15(20-13(3)22)14-8-6-5-7-9-14/h5-9,12,15H,4,10-11H2,1-3H3,(H,20,22)(H2,19,21,23,25)/t12-,15+/m0/s1