(phenylmethyl) 2-[[(5R,7S)-3-(3-piperidin-4-ylpropanoylamino)-1-adamantyl]amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[(5R,7S)-3-(3-piperidin-4-ylpropanoylamino)-1-adamantyl]amino]ethanoate Openeye Name: benzyl 2-[[(5R,7S)-3-[3-(4-piperidyl)propanoylamino]-1-adamantyl]amino]acetate CAS Name: 2-[[(5R,7S)-3-[[1-oxo-3-(4-piperidinyl)propyl]amino]-1-adamantyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[(5R,7S)-3-(3-piperidin-4-ylpropanoylamino)-1-adamantyl]amino]acetate Traditional Name: 2-[[(5R,7S)-3-[3-(4-piperidyl)propanoylamino]-1-adamantyl]amino]acetic acid benzyl ester Formula: C27H39N3O3 MolecularWeight: 453.61686

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCC(=O)NC23CC4CC(C2)CC(C4)(C3)NCC(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CNCCC1CCC(=O)NC23C[C@@H]4C[C@H](C2)CC(C4)(C3)NCC(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H39N3O3/c31-24(7-6-20-8-10-28-11-9-20)30-27-15-22-12-23(16-27)14-26(13-22,19-27)29-17-25(32)33-18-21-4-2-1-3-5-21/h1-5,20,22-23,28-29H,6-19H2,(H,30,31)/t22-,23+,26?,27?