hexyl (2S)-2-azanyl-5-oxidanylidene-5-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]pentanoate

Systemtic Name: hexyl (2S)-2-azanyl-5-oxidanylidene-5-[2-[1-(phenylmethyl)piperidin-4-yl]ethylamino]pentanoate Openeye Name: hexyl (2S)-2-amino-5-[2-(1-benzyl-4-piperidyl)ethylamino]-5-oxo-pentanoate CAS Name: (2S)-2-amino-5-oxo-5-[2-[1-(phenylmethyl)-4-piperidinyl]ethylamino]pentanoic acid hexyl ester IUPAC Name: hexyl (2S)-2-amino-5-[2-(1-benzylpiperidin-4-yl)ethylamino]-5-oxopentanoate Traditional Name: (2S)-2-amino-5-[2-(1-benzyl-4-piperidyl)ethylamino]-5-keto-valeric acid hexyl ester Formula: C25H41N3O3 MolecularWeight: 431.61134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CCC(=O)NCCC1CCN(CC1)CC2=CC=CC=C2)N

Isomeric SMILES

CCCCCCOC(=O)[C@H](CCC(=O)NCCC1CCN(CC1)CC2=CC=CC=C2)N

InChI

InChI=1S/C25H41N3O3/c1-2-3-4-8-19-31-25(30)23(26)11-12-24(29)27-16-13-21-14-17-28(18-15-21)20-22-9-6-5-7-10-22/h5-7,9-10,21,23H,2-4,8,11-20,26H2,1H3,(H,27,29)/t23-/m0/s1