methyl (2R)-2-[[(2S)-1-hexanoylpyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl (2R)-2-[[(2S)-1-hexanoylpyrrolidin-2-yl]carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2R)-2-[[(2S)-1-hexanoylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2R)-3-(4-hydroxyphenyl)-2-[[oxo-[(2S)-1-(1-oxohexyl)-2-pyrrolidinyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[(2S)-1-hexanoylpyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2R)-2-[[(2S)-1-caproylprolyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCCC1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OC

Isomeric SMILES

CCCCCC(=O)N1CCC[C@H]1C(=O)N[C@H](CC2=CC=C(C=C2)O)C(=O)OC

InChI

InChI=1S/C21H30N2O5/c1-3-4-5-8-19(25)23-13-6-7-18(23)20(26)22-17(21(27)28-2)14-15-9-11-16(24)12-10-15/h9-12,17-18,24H,3-8,13-14H2,1-2H3,(H,22,26)/t17-,18+/m1/s1