methyl (2S,4S)-4-(furan-2-ylcarbonylamino)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: methyl (2S,4S)-4-(furan-2-ylcarbonylamino)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: methyl (2S,4S)-4-(furan-2-carbonylamino)-1-[(4-isopropylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate CAS Name: (2S,4S)-4-[[2-furanyl(oxo)methyl]amino]-1-[(4-propan-2-ylphenyl)methyl]-2-pyrrolidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2S,4S)-4-(furan-2-carbonylamino)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (2S,4S)-4-(2-furoylamino)-1-(4-isopropylbenzyl)pyrrolidin-1-ium-2-carboxylic acid methyl ester Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CC(CC2C(=O)OC)NC(=O)C3=CC=CO3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2C[C@H](C[C@H]2C(=O)OC)NC(=O)C3=CC=CO3

InChI

InChI=1S/C21H26N2O4/c1-14(2)16-8-6-15(7-9-16)12-23-13-17(11-18(23)21(25)26-3)22-20(24)19-5-4-10-27-19/h4-10,14,17-18H,11-13H2,1-3H3,(H,22,24)/p+1/t17-,18-/m0/s1