About 1H-indole-5-carboxylic acid;methyl 1H-indole-5-carboxylate;propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate
1H-indole-5-carboxylic acid;methyl 1H-indole-5-carboxylate;propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate (PubChem CID 158411670) has the molecular formula C54H51N7O9
and a molecular weight of 942.04 g/mol. Its IUPAC name is 1H-indole-5-carboxylic acid;methyl 1H-indole-5-carboxylate;propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate.
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Frequently Asked Questions
What is the IUPAC name of 1H-indole-5-carboxylic acid;methyl 1H-indole-5-carboxylate;propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate?
The IUPAC name of 1H-indole-5-carboxylic acid;methyl 1H-indole-5-carboxylate;propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate (CID 158411670) is 1H-indole-5-carboxylic acid;methyl 1H-indole-5-carboxylate;propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate.
What is the SMILES notation for 1H-indole-5-carboxylic acid;methyl 1H-indole-5-carboxylate;propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate?
The canonical SMILES for 1H-indole-5-carboxylic acid;methyl 1H-indole-5-carboxylate;propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate is CC(=O)Cc1ccc(-c2cc3cc(-c4nnc([C@@H]5CCCN5C(=O)[C@H](NC(=O)OC(C)C)c5ccccc5)o4)ccc3[nH]2)cc1.COC(=O)c1ccc2[nH]ccc2c1.O=C(O)c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole-5-carboxylic acid;methyl 1H-indole-5-carboxylate;propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate?
The InChIKey is GZJURUHWHUWSMO-VONLVTGRSA-N. The full InChI is InChI=1S/C35H35N5O5.C10H9NO2.C9H7NO2/c1-21(2)44-35(43)37-31(25-8-5-4-6-9-25)34(42)40-17-7-10-30(40)33-39-38-32(45-33)26-15-16-28-27(19-26)20-29(36-28)24-13-11-23(12-14-24)18-22(3)41;1-13-10(12)8-2-3-9-7(6-8)4-5-11-9;11-9(12)7-1-2-8-6(5-7)3-4-10-8/h4-6,8-9,11-16,19-21,30-31,36H,7,10,17-18H2,1-3H3,(H,37,43);2-6,11H,1H3;1-5,10H,(H,11,12)/t30-,31+;;/m0../s1.
What are the key properties of 1H-indole-5-carboxylic acid;methyl 1H-indole-5-carboxylate;propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate?
1H-indole-5-carboxylic acid;methyl 1H-indole-5-carboxylate;propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate has a molecular weight of 942.04 g/mol, XLogP of 10.38, 11 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole-5-carboxylic acid;methyl 1H-indole-5-carboxylate;propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[2-[4-(2-oxopropyl)phenyl]-1H-indol-5-yl]-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate is sourced from PubChem (CID 158411670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).