methyl 3-[2-(1-adamantylcarbonylamino)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[2-(1-adamantylcarbonylamino)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[[2-(adamantane-1-carbonylamino)acetyl]amino]-3-phenyl-propanoate CAS Name: 3-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-(adamantane-1-carbonylamino)acetyl]amino]-3-phenylpropanoate Traditional Name: 3-[[2-(adamantane-1-carbonylamino)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C23H30N2O4 MolecularWeight: 398.4953

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CC=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC(=O)CC(C1=CC=CC=C1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H30N2O4/c1-29-21(27)10-19(18-5-3-2-4-6-18)25-20(26)14-24-22(28)23-11-15-7-16(12-23)9-17(8-15)13-23/h2-6,15-17,19H,7-14H2,1H3,(H,24,28)(H,25,26)