(2S)-3-methyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[(1-phenylmethoxycarbonylpyrrolidin-2-yl)carbonylamino]butanoic acid Openeye Name: (2S)-2-[(1-benzyloxycarbonylpyrrolidine-2-carbonyl)amino]-3-methyl-butanoic acid CAS Name: (2S)-3-methyl-2-[[oxo-(1-phenylmethoxycarbonyl-2-pyrrolidinyl)methyl]amino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[(1-phenylmethoxycarbonylpyrrolidine-2-carbonyl)amino]butanoic acid Traditional Name: (2S)-2-[(1-carbobenzoxyprolyl)amino]-3-methyl-butyric acid Formula: C18H24N2O5 MolecularWeight: 348.39356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)O)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H24N2O5/c1-12(2)15(17(22)23)19-16(21)14-9-6-10-20(14)18(24)25-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3,(H,19,21)(H,22,23)/t14?,15-/m0/s1