methyl (2S)-2-[[(2S)-3-phenyl-2-pyrrol-1-yl-propanoyl]amino]hexanoate

Systemtic Name: methyl (2S)-2-[[(2S)-3-phenyl-2-pyrrol-1-yl-propanoyl]amino]hexanoate Openeye Name: methyl (2S)-2-[[(2S)-3-phenyl-2-pyrrol-1-yl-propanoyl]amino]hexanoate CAS Name: (2S)-2-[[(2S)-1-oxo-3-phenyl-2-(1-pyrrolyl)propyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-3-phenyl-2-pyrrol-1-ylpropanoyl]amino]hexanoate Traditional Name: (2S)-2-[[(2S)-3-phenyl-2-pyrrol-1-yl-propanoyl]amino]hexanoic acid methyl ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)OC)NC(=O)C(CC1=CC=CC=C1)N2C=CC=C2

Isomeric SMILES

CCCC[C@@H](C(=O)OC)NC(=O)[C@H](CC1=CC=CC=C1)N2C=CC=C2

InChI

InChI=1S/C20H26N2O3/c1-3-4-12-17(20(24)25-2)21-19(23)18(22-13-8-9-14-22)15-16-10-6-5-7-11-16/h5-11,13-14,17-18H,3-4,12,15H2,1-2H3,(H,21,23)/t17-,18-/m0/s1