About 2-amino-N-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethyl]acetamide;(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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)-heptaene-5,9-dione;(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid;2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]-3,3,3-trifluoropropanoic acid;9H-fluoren-9-ylmethyl 4-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethylamino]-4-oxobutanoate;methane;methanesulfonic acid
2-amino-N-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethyl]acetamide;(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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)-heptaene-5,9-dione;(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid;2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]-3,3,3-trifluoropropanoic acid;9H-fluoren-9-ylmethyl 4-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethylamino]-4-oxobutanoate;methane;methanesulfonic acid (PubChem CID 163894210) has the molecular formula C153H168F12N16O36S
and a molecular weight of 3067.15 g/mol. Its IUPAC name is 2-amino-N-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethyl]acetamide;(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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)-heptaene-5,9-dione;(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid;2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]-3,3,3-trifluoropropanoic acid;9H-fluoren-9-ylmethyl 4-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethylamino]-4-oxobutanoate;methane;methanesulfonic acid.
Frequently Asked Questions
What is the IUPAC name of 2-amino-N-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethyl]acetamide;(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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)-heptaene-5,9-dione;(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid;2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]-3,3,3-trifluoropropanoic acid;9H-fluoren-9-ylmethyl 4-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethylamino]-4-oxobutanoate;methane;methanesulfonic acid?
The IUPAC name of 2-amino-N-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethyl]acetamide;(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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)-heptaene-5,9-dione;(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid;2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]-3,3,3-trifluoropropanoic acid;9H-fluoren-9-ylmethyl 4-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethylamino]-4-oxobutanoate;methane;methanesulfonic acid (CID 163894210) is 2-amino-N-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethyl]acetamide;(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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)-heptaene-5,9-dione;(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid;2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]-3,3,3-trifluoropropanoic acid;9H-fluoren-9-ylmethyl 4-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethylamino]-4-oxobutanoate;methane;methanesulfonic acid.
What is the SMILES notation for 2-amino-N-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethyl]acetamide;(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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)-heptaene-5,9-dione;(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid;2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]-3,3,3-trifluoropropanoic acid;9H-fluoren-9-ylmethyl 4-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethylamino]-4-oxobutanoate;methane;methanesulfonic acid?
The canonical SMILES for 2-amino-N-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethyl]acetamide;(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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)-heptaene-5,9-dione;(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid;2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]-3,3,3-trifluoropropanoic acid;9H-fluoren-9-ylmethyl 4-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethylamino]-4-oxobutanoate;methane;methanesulfonic acid is C.C.C.C.C.C.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](CC(=O)C(OCNC(=O)CCC(=O)OCC1c2ccccc2-c2ccccc21)C(F)(F)F)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](CC(=O)C(OCNC(=O)CN)C(F)(F)F)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N)CC3.CS(=O)(=O)O.O=C(CCCCCN1C(=O)C=CC1=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O.O=C(CNC(=O)OCC1c2ccccc2-c2ccccc21)NCOC(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-amino-N-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethyl]acetamide;(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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)-heptaene-5,9-dione;(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid;2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]-3,3,3-trifluoropropanoic acid;9H-fluoren-9-ylmethyl 4-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethylamino]-4-oxobutanoate;methane;methanesulfonic acid?
The InChIKey is WQVCUIOBYOFLRY-OVVYZQPCSA-N. The full InChI is InChI=1S/C47H41F4N3O9.C31H30F4N4O7.C24H22FN3O4.C23H28N4O7.C21H19F3N2O6.CH4O3S.6CH4/c1-3-46(60)33-17-36-42-30(19-54(36)44(58)32(33)21-62-45(46)59)40-24(12-13-25-23(2)34(48)18-35(53-42)41(25)40)16-37(55)43(47(49,50)51)63-22-52-38(56)14-15-39(57)61-20-31-28-10-6-4-8-26(28)27-9-5-7-11-29(27)31;1-3-30(44)18-7-21-26-16(10-39(21)28(42)17(18)11-45-29(30)43)24-14(4-5-15-13(2)19(32)8-20(38-26)25(15)24)6-22(40)27(31(33,34)35)46-12-37-23(41)9-36;1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19;28-18(9-5-2-6-12-27-21(31)10-11-22(27)32)24-14-19(29)25-15-20(30)26-17(23(33)34)13-16-7-3-1-4-8-16;22-21(23,24)18(19(28)29)32-11-26-17(27)9-25-20(30)31-10-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16;1-5(2,3)4;;;;;;/h4-11,17-18,24,31,43,60H,3,12-16,19-22H2,1-2H3,(H,52,56);7-8,14,27,44H,3-6,9-12,36H2,1-2H3,(H,37,41);6-7,16,31H,3-5,8-9,26H2,1-2H3;1,3-4,7-8,10-11,17H,2,5-6,9,12-15H2,(H,24,28)(H,25,29)(H,26,30)(H,33,34);1-8,16,18H,9-11H2,(H,25,30)(H,26,27)(H,28,29);1H3,(H,2,3,4);6*1H4/t24-,43?,46+;14-,27?,30+;16-,24-;17-;;;;;;;;/m1100......../s1.
What are the key properties of 2-amino-N-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethyl]acetamide;(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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)-heptaene-5,9-dione;(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid;2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]-3,3,3-trifluoropropanoic acid;9H-fluoren-9-ylmethyl 4-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethylamino]-4-oxobutanoate;methane;methanesulfonic acid?
2-amino-N-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethyl]acetamide;(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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)-heptaene-5,9-dione;(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid;2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]-3,3,3-trifluoropropanoic acid;9H-fluoren-9-ylmethyl 4-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethylamino]-4-oxobutanoate;methane;methanesulfonic acid has a molecular weight of 3067.15 g/mol, XLogP of 17.11, 43 rotatable bonds, 15 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethyl]acetamide;(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-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)-heptaene-5,9-dione;(2S)-2-[[2-[[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]acetyl]amino]acetyl]amino]-3-phenylpropanoic acid;2-[[[2-(9H-fluoren-9-ylmethoxycarbonylamino)acetyl]amino]methoxy]-3,3,3-trifluoropropanoic acid;9H-fluoren-9-ylmethyl 4-[[4-[(10S,23R)-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]-1,1,1-trifluoro-3-oxobutan-2-yl]oxymethylamino]-4-oxobutanoate;methane;methanesulfonic acid is sourced from PubChem (CID 163894210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).