About (2R)-5-[(2-aminoacetyl)amino]-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-5-[[6-(2,5-dioxopyrrol-1-yl)-4-oxohexanoyl]amino]-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-5-[[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexanoyl]amino]-4-oxopentanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione
(2R)-5-[(2-aminoacetyl)amino]-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-5-[[6-(2,5-dioxopyrrol-1-yl)-4-oxohexanoyl]amino]-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-5-[[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexanoyl]amino]-4-oxopentanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione (PubChem CID 157432401) has the molecular formula C160H169F3N20O39
and a molecular weight of 3053.21 g/mol. Its IUPAC name is (2R)-5-[(2-aminoacetyl)amino]-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-5-[[6-(2,5-dioxopyrrol-1-yl)-4-oxohexanoyl]amino]-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-5-[[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexanoyl]amino]-4-oxopentanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione.
Frequently Asked Questions
What is the IUPAC name of (2R)-5-[(2-aminoacetyl)amino]-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-5-[[6-(2,5-dioxopyrrol-1-yl)-4-oxohexanoyl]amino]-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-5-[[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexanoyl]amino]-4-oxopentanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione?
The IUPAC name of (2R)-5-[(2-aminoacetyl)amino]-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-5-[[6-(2,5-dioxopyrrol-1-yl)-4-oxohexanoyl]amino]-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-5-[[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexanoyl]amino]-4-oxopentanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione (CID 157432401) is (2R)-5-[(2-aminoacetyl)amino]-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-5-[[6-(2,5-dioxopyrrol-1-yl)-4-oxohexanoyl]amino]-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-5-[[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexanoyl]amino]-4-oxopentanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione.
What is the SMILES notation for (2R)-5-[(2-aminoacetyl)amino]-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-5-[[6-(2,5-dioxopyrrol-1-yl)-4-oxohexanoyl]amino]-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-5-[[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexanoyl]amino]-4-oxopentanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione?
The canonical SMILES for (2R)-5-[(2-aminoacetyl)amino]-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-5-[[6-(2,5-dioxopyrrol-1-yl)-4-oxohexanoyl]amino]-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-5-[[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexanoyl]amino]-4-oxopentanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCC(=O)CNC(=O)C(CC(=O)CNC(=O)CN)Cc1ccccc1)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCC(=O)CNC(=O)[C@@H](CC(=O)CNC(=O)CCC(=O)CCN1C(=O)C=CC1=O)Cc1ccccc1)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCC(=O)CNC(=O)[C@@H](CC(=O)CNC(=O)CCC(=O)CCN1C(=O)CC(C)C1=O)Cc1ccccc1)CC3.O=C(O)CCN1C(=O)C=CC1=O.O=C1CCC(=O)N1.
What is the InChIKey of (2R)-5-[(2-aminoacetyl)amino]-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-5-[[6-(2,5-dioxopyrrol-1-yl)-4-oxohexanoyl]amino]-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-5-[[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexanoyl]amino]-4-oxopentanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione?
The InChIKey is BQRSXFGPHYRPEJ-JWBBMYDTSA-N. The full InChI is InChI=1S/C53H57FN6O12.C52H53FN6O12.C44H47FN6O9.C7H7NO4.C4H5NO2/c1-4-53(71)38-22-42-48-36(26-60(42)51(69)37(38)27-72-52(53)70)47-40(15-14-35-29(3)39(54)23-41(58-48)46(35)47)57-44(65)12-8-11-33(62)24-56-49(67)31(20-30-9-6-5-7-10-30)21-34(63)25-55-43(64)16-13-32(61)17-18-59-45(66)19-28(2)50(59)68;1-3-52(70)37-22-41-48-35(26-59(41)50(68)36(37)27-71-51(52)69)47-39(14-13-34-28(2)38(53)23-40(57-48)46(34)47)56-43(64)11-7-10-32(61)24-55-49(67)30(20-29-8-5-4-6-9-29)21-33(62)25-54-42(63)15-12-31(60)18-19-58-44(65)16-17-45(58)66;1-3-44(59)31-16-35-40-29(21-51(35)42(57)30(31)22-60-43(44)58)39-33(13-12-28-23(2)32(45)17-34(50-40)38(28)39)49-36(54)11-7-10-26(52)19-48-41(56)25(14-24-8-5-4-6-9-24)15-27(53)20-47-37(55)18-46;9-5-1-2-6(10)8(5)4-3-7(11)12;6-3-1-2-4(7)5-3/h5-7,9-10,22-23,28,31,40,71H,4,8,11-21,24-27H2,1-3H3,(H,55,64)(H,56,67)(H,57,65);4-6,8-9,16-17,22-23,30,39,70H,3,7,10-15,18-21,24-27H2,1-2H3,(H,54,63)(H,55,67)(H,56,64);4-6,8-9,16-17,25,33,59H,3,7,10-15,18-22,46H2,1-2H3,(H,47,55)(H,48,56)(H,49,54);1-2H,3-4H2,(H,11,12);1-2H2,(H,5,6,7)/t28?,31-,40+,53+;30-,39+,52+;25?,33-,44-;;/m110../s1.
What are the key properties of (2R)-5-[(2-aminoacetyl)amino]-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-5-[[6-(2,5-dioxopyrrol-1-yl)-4-oxohexanoyl]amino]-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-5-[[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexanoyl]amino]-4-oxopentanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione?
(2R)-5-[(2-aminoacetyl)amino]-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-5-[[6-(2,5-dioxopyrrol-1-yl)-4-oxohexanoyl]amino]-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-5-[[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexanoyl]amino]-4-oxopentanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione has a molecular weight of 3053.21 g/mol, XLogP of 7.83, 61 rotatable bonds, 15 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-[(2-aminoacetyl)amino]-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-5-[[6-(2,5-dioxopyrrol-1-yl)-4-oxohexanoyl]amino]-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-5-[[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexanoyl]amino]-4-oxopentanamide;3-(2,5-dioxopyrrol-1-yl)propanoic acid;pyrrolidine-2,5-dione is sourced from PubChem (CID 157432401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).