2-[(3R,5S)-1-phenylmethoxycarbonyl-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyethanoic acid

Systemtic Name: 2-[(3R,5S)-1-phenylmethoxycarbonyl-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyethanoic acid Openeye Name: 2-[(3R,5S)-1-benzyloxycarbonyl-5-[(2-pyridylamino)methyl]pyrrolidin-3-yl]oxyacetic acid CAS Name: 2-[[(3R,5S)-1-phenylmethoxycarbonyl-5-[(2-pyridinylamino)methyl]-3-pyrrolidinyl]oxy]acetic acid IUPAC Name: 2-[(3R,5S)-1-phenylmethoxycarbonyl-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetic acid Traditional Name: 2-[(3R,5S)-1-carbobenzoxy-5-[(2-pyridylamino)methyl]pyrrolidin-3-yl]oxyacetic acid Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1CNC2=CC=CC=N2)C(=O)OCC3=CC=CC=C3)OCC(=O)O

Isomeric SMILES

C1[C@H](CN([C@@H]1CNC2=CC=CC=N2)C(=O)OCC3=CC=CC=C3)OCC(=O)O

InChI

InChI=1S/C20H23N3O5/c24-19(25)14-27-17-10-16(11-22-18-8-4-5-9-21-18)23(12-17)20(26)28-13-15-6-2-1-3-7-15/h1-9,16-17H,10-14H2,(H,21,22)(H,24,25)/t16-,17+/m0/s1