methyl 3-[4-(1-adamantylcarbonylamino)butanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl 3-[4-(1-adamantylcarbonylamino)butanoylamino]-3-phenyl-propanoate Openeye Name: methyl 3-[4-(adamantane-1-carbonylamino)butanoylamino]-3-phenyl-propanoate CAS Name: 3-[[4-[[1-adamantyl(oxo)methyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 3-[4-(adamantane-1-carbonylamino)butanoylamino]-3-phenylpropanoate Traditional Name: 3-[4-(adamantane-1-carbonylamino)butanoylamino]-3-phenyl-propionic acid methyl ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O4/c1-31-23(29)13-21(20-6-3-2-4-7-20)27-22(28)8-5-9-26-24(30)25-14-17-10-18(15-25)12-19(11-17)16-25/h2-4,6-7,17-19,21H,5,8-16H2,1H3,(H,26,30)(H,27,28)