hexyl (2S)-2-[(1-azanylcyclopentyl)carbonylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: hexyl (2S)-2-[(1-azanylcyclopentyl)carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: hexyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(1-aminocyclopentyl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid hexyl ester IUPAC Name: hexyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-hydroxyphenyl)propionic acid hexyl ester Formula: C21H32N2O4 MolecularWeight: 376.48978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2(CCCC2)N

Isomeric SMILES

CCCCCCOC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2(CCCC2)N

InChI

InChI=1S/C21H32N2O4/c1-2-3-4-7-14-27-19(25)18(15-16-8-10-17(24)11-9-16)23-20(26)21(22)12-5-6-13-21/h8-11,18,24H,2-7,12-15,22H2,1H3,(H,23,26)/t18-/m0/s1