(2S)-2-[(1-methyl-5-oxidanylidene-2-pyridin-3-yl-pyrrolidin-3-yl)carbonylamino]-3-(4-pentoxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[(1-methyl-5-oxidanylidene-2-pyridin-3-yl-pyrrolidin-3-yl)carbonylamino]-3-(4-pentoxyphenyl)propanoic acid Openeye Name: (2S)-2-[[1-methyl-5-oxo-2-(3-pyridyl)pyrrolidine-3-carbonyl]amino]-3-(4-pentoxyphenyl)propanoic acid CAS Name: (2S)-2-[[[1-methyl-5-oxo-2-(3-pyridinyl)-3-pyrrolidinyl]-oxomethyl]amino]-3-(4-pentoxyphenyl)propanoic acid IUPAC Name: (2S)-2-[(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)amino]-3-(4-pentoxyphenyl)propanoic acid Traditional Name: (2S)-3-(4-amoxyphenyl)-2-[[5-keto-1-methyl-2-(3-pyridyl)pyrrolidine-3-carbonyl]amino]propionic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CC(C(=O)O)NC(=O)C2CC(=O)N(C2C3=CN=CC=C3)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C[C@@H](C(=O)O)NC(=O)C2CC(=O)N(C2C3=CN=CC=C3)C

InChI

InChI=1S/C25H31N3O5/c1-3-4-5-13-33-19-10-8-17(9-11-19)14-21(25(31)32)27-24(30)20-15-22(29)28(2)23(20)18-7-6-12-26-16-18/h6-12,16,20-21,23H,3-5,13-15H2,1-2H3,(H,27,30)(H,31,32)/t20?,21-,23?/m0/s1