propan-2-yl 3-[3-(1-adamantylcarbonylamino)propanoylamino]-3-phenyl-propanoate

Systemtic Name: propan-2-yl 3-[3-(1-adamantylcarbonylamino)propanoylamino]-3-phenyl-propanoate Openeye Name: isopropyl 3-[3-(adamantane-1-carbonylamino)propanoylamino]-3-phenyl-propanoate CAS Name: 3-[[3-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-(adamantane-1-carbonylamino)propanoylamino]-3-phenylpropanoate Traditional Name: 3-[3-(adamantane-1-carbonylamino)propanoylamino]-3-phenyl-propionic acid isopropyl ester Formula: C26H36N2O4 MolecularWeight: 440.57504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)OC(=O)CC(C1=CC=CC=C1)NC(=O)CCNC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H36N2O4/c1-17(2)32-24(30)13-22(21-6-4-3-5-7-21)28-23(29)8-9-27-25(31)26-14-18-10-19(15-26)12-20(11-18)16-26/h3-7,17-20,22H,8-16H2,1-2H3,(H,27,31)(H,28,29)