About (2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid
(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid (PubChem CID 157081024) has the molecular formula C146H191F3N20O18
and a molecular weight of 2571.25 g/mol. Its IUPAC name is (2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid.
Frequently Asked Questions
What is the IUPAC name of (2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of (2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid (CID 157081024) is (2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for (2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for (2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid is CC(C)Oc1ccccc1[C@@H](C(=O)O)N1CC(C(=O)N2CC[C@@H](CCc3ccc4c(n3)NCCC4)C2)C1.CC(C)Oc1ccccc1[C@@H](C(=O)O)N1CC[C@@H](C(=O)N2CC[C@@H](CCc3ccc4c(n3)NCCC4)C2)C1.CC(C)Oc1ccccc1[C@H](C(=O)O)N1CC(C(=O)N2CC[C@@H](CCc3ccc4c(n3)NCCC4)C2)C1.CC(C)Oc1ccccc1[C@H](C(=O)O)N1CC[C@@H](C(=O)N2CC[C@@H](CCc3ccc4c(n3)NCCC4)C2)C1.O=C(O)[C@H](c1ccc(C(F)(F)F)cc1)N1CC[C@@H](N2CCC(CCc3ccc4c(n3)NCCC4)CC2)C1.
What is the InChIKey of (2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is ADNRGTSNFHQUQA-RHWPWLPDSA-N. The full InChI is InChI=1S/2C30H40N4O4.2C29H38N4O4.C28H35F3N4O2/c2*1-20(2)38-26-8-4-3-7-25(26)27(30(36)37)33-17-14-23(19-33)29(35)34-16-13-21(18-34)9-11-24-12-10-22-6-5-15-31-28(22)32-24;2*1-19(2)37-25-8-4-3-7-24(25)26(29(35)36)33-17-22(18-33)28(34)32-15-13-20(16-32)9-11-23-12-10-21-6-5-14-30-27(21)31-23;29-28(30,31)22-7-4-20(5-8-22)25(27(36)37)35-17-13-24(18-35)34-15-11-19(12-16-34)3-9-23-10-6-21-2-1-14-32-26(21)33-23/h2*3-4,7-8,10,12,20-21,23,27H,5-6,9,11,13-19H2,1-2H3,(H,31,32)(H,36,37);2*3-4,7-8,10,12,19-20,22,26H,5-6,9,11,13-18H2,1-2H3,(H,30,31)(H,35,36);4-8,10,19,24-25H,1-3,9,11-18H2,(H,32,33)(H,36,37)/t21-,23-,27+;21-,23-,27-;20-,26+;20-,26-;24-,25+/m11111/s1.
What are the key properties of (2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid?
(2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 2571.25 g/mol, XLogP of 20.85, 43 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]azetidin-1-yl]acetic acid;(2S)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2R)-2-(2-propan-2-yloxyphenyl)-2-[(3R)-3-[(3R)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]acetic acid;(2S)-2-[(3R)-3-[4-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]piperidin-1-yl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 157081024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).