About (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;3-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(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]propanamide;tert-butyl N-[2-[[3-[[(10S)-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]-3-oxopropyl]-[2-(oxan-2-yloxy)ethyl]amino]ethyl]carbamate;tert-butyl 4-[2-(oxan-2-yloxy)ethyl-(3-oxo-3-phenylmethoxypropyl)amino]butanoate;tert-butyl 4-[(3-oxo-3-phenylmethoxypropyl)amino]butanoate;methanesulfonic acid;3-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-[2-(oxan-2-yloxy)ethyl]amino]propanoic acid
(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;3-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(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]propanamide;tert-butyl N-[2-[[3-[[(10S)-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]-3-oxopropyl]-[2-(oxan-2-yloxy)ethyl]amino]ethyl]carbamate;tert-butyl 4-[2-(oxan-2-yloxy)ethyl-(3-oxo-3-phenylmethoxypropyl)amino]butanoate;tert-butyl 4-[(3-oxo-3-phenylmethoxypropyl)amino]butanoate;methanesulfonic acid;3-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-[2-(oxan-2-yloxy)ethyl]amino]propanoic acid (PubChem CID 163830803) has the molecular formula C158H213F3N16O38S
and a molecular weight of 3033.58 g/mol. Its IUPAC name is (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;3-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(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]propanamide;tert-butyl N-[2-[[3-[[(10S)-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]-3-oxopropyl]-[2-(oxan-2-yloxy)ethyl]amino]ethyl]carbamate;tert-butyl 4-[2-(oxan-2-yloxy)ethyl-(3-oxo-3-phenylmethoxypropyl)amino]butanoate;tert-butyl 4-[(3-oxo-3-phenylmethoxypropyl)amino]butanoate;methanesulfonic acid;3-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-[2-(oxan-2-yloxy)ethyl]amino]propanoic acid.
Frequently Asked Questions
What is the IUPAC name of (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;3-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(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]propanamide;tert-butyl N-[2-[[3-[[(10S)-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]-3-oxopropyl]-[2-(oxan-2-yloxy)ethyl]amino]ethyl]carbamate;tert-butyl 4-[2-(oxan-2-yloxy)ethyl-(3-oxo-3-phenylmethoxypropyl)amino]butanoate;tert-butyl 4-[(3-oxo-3-phenylmethoxypropyl)amino]butanoate;methanesulfonic acid;3-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-[2-(oxan-2-yloxy)ethyl]amino]propanoic acid?
The IUPAC name of (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;3-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(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]propanamide;tert-butyl N-[2-[[3-[[(10S)-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]-3-oxopropyl]-[2-(oxan-2-yloxy)ethyl]amino]ethyl]carbamate;tert-butyl 4-[2-(oxan-2-yloxy)ethyl-(3-oxo-3-phenylmethoxypropyl)amino]butanoate;tert-butyl 4-[(3-oxo-3-phenylmethoxypropyl)amino]butanoate;methanesulfonic acid;3-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-[2-(oxan-2-yloxy)ethyl]amino]propanoic acid (CID 163830803) is (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;3-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(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]propanamide;tert-butyl N-[2-[[3-[[(10S)-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]-3-oxopropyl]-[2-(oxan-2-yloxy)ethyl]amino]ethyl]carbamate;tert-butyl 4-[2-(oxan-2-yloxy)ethyl-(3-oxo-3-phenylmethoxypropyl)amino]butanoate;tert-butyl 4-[(3-oxo-3-phenylmethoxypropyl)amino]butanoate;methanesulfonic acid;3-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-[2-(oxan-2-yloxy)ethyl]amino]propanoic acid.
What is the SMILES notation for (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;3-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(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]propanamide;tert-butyl N-[2-[[3-[[(10S)-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]-3-oxopropyl]-[2-(oxan-2-yloxy)ethyl]amino]ethyl]carbamate;tert-butyl 4-[2-(oxan-2-yloxy)ethyl-(3-oxo-3-phenylmethoxypropyl)amino]butanoate;tert-butyl 4-[(3-oxo-3-phenylmethoxypropyl)amino]butanoate;methanesulfonic acid;3-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-[2-(oxan-2-yloxy)ethyl]amino]propanoic acid?
The canonical SMILES for (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;3-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(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]propanamide;tert-butyl N-[2-[[3-[[(10S)-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]-3-oxopropyl]-[2-(oxan-2-yloxy)ethyl]amino]ethyl]carbamate;tert-butyl 4-[2-(oxan-2-yloxy)ethyl-(3-oxo-3-phenylmethoxypropyl)amino]butanoate;tert-butyl 4-[(3-oxo-3-phenylmethoxypropyl)amino]butanoate;methanesulfonic acid;3-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-[2-(oxan-2-yloxy)ethyl]amino]propanoic acid is CC(C)(C)OC(=O)CCCN(CCOC1CCCCO1)CCC(=O)O.CC(C)(C)OC(=O)CCCN(CCOC1CCCCO1)CCC(=O)OCc1ccccc1.CC(C)(C)OC(=O)CCCNCCC(=O)OCc1ccccc1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2C(NC(=O)CCN(CCNC(=O)OC(C)(C)C)CCOC1CCCCO1)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](N)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCN(CCN)CCO)CC3.CS(=O)(=O)O.
What is the InChIKey of (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;3-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(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]propanamide;tert-butyl N-[2-[[3-[[(10S)-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]-3-oxopropyl]-[2-(oxan-2-yloxy)ethyl]amino]ethyl]carbamate;tert-butyl 4-[2-(oxan-2-yloxy)ethyl-(3-oxo-3-phenylmethoxypropyl)amino]butanoate;tert-butyl 4-[(3-oxo-3-phenylmethoxypropyl)amino]butanoate;methanesulfonic acid;3-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-[2-(oxan-2-yloxy)ethyl]amino]propanoic acid?
The InChIKey is GJHGCOISSXQVPF-LUSRNRSKSA-N. The full InChI is InChI=1S/C41H52FN5O9.C31H36FN5O6.C25H39NO6.C24H22FN3O4.C18H33NO6.C18H27NO4.CH4O3S/c1-6-41(52)27-19-31-36-25(21-47(31)37(49)26(27)22-55-38(41)50)35-29(11-10-24-23(2)28(42)20-30(45-36)34(24)35)44-32(48)12-14-46(15-13-43-39(51)56-40(3,4)5)16-18-54-33-9-7-8-17-53-33;1-3-31(42)20-12-24-28-18(14-37(24)29(40)19(20)15-43-30(31)41)27-22(34-25(39)6-8-36(9-7-33)10-11-38)5-4-17-16(2)21(32)13-23(35-28)26(17)27;1-25(2,3)32-23(28)12-9-15-26(17-19-30-24-13-7-8-18-29-24)16-14-22(27)31-20-21-10-5-4-6-11-21;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;1-18(2,3)25-16(22)7-6-10-19(11-9-15(20)21)12-14-24-17-8-4-5-13-23-17;1-18(2,3)23-17(21)10-7-12-19-13-11-16(20)22-14-15-8-5-4-6-9-15;1-5(2,3)4/h19-20,29,33,52H,6-18,21-22H2,1-5H3,(H,43,51)(H,44,48);12-13,22,38,42H,3-11,14-15,33H2,1-2H3,(H,34,39);4-6,10-11,24H,7-9,12-20H2,1-3H3;6-7,16,31H,3-5,8-9,26H2,1-2H3;17H,4-14H2,1-3H3,(H,20,21);4-6,8-9,19H,7,10-14H2,1-3H3;1H3,(H,2,3,4)/t29?,33?,41-;22-,31-;;16-,24-;;;/m00.0.../s1.
What are the key properties of (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;3-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(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]propanamide;tert-butyl N-[2-[[3-[[(10S)-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]-3-oxopropyl]-[2-(oxan-2-yloxy)ethyl]amino]ethyl]carbamate;tert-butyl 4-[2-(oxan-2-yloxy)ethyl-(3-oxo-3-phenylmethoxypropyl)amino]butanoate;tert-butyl 4-[(3-oxo-3-phenylmethoxypropyl)amino]butanoate;methanesulfonic acid;3-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-[2-(oxan-2-yloxy)ethyl]amino]propanoic acid?
(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;3-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(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]propanamide;tert-butyl N-[2-[[3-[[(10S)-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]-3-oxopropyl]-[2-(oxan-2-yloxy)ethyl]amino]ethyl]carbamate;tert-butyl 4-[2-(oxan-2-yloxy)ethyl-(3-oxo-3-phenylmethoxypropyl)amino]butanoate;tert-butyl 4-[(3-oxo-3-phenylmethoxypropyl)amino]butanoate;methanesulfonic acid;3-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-[2-(oxan-2-yloxy)ethyl]amino]propanoic acid has a molecular weight of 3033.58 g/mol, XLogP of 16.99, 55 rotatable bonds, 12 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for (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;3-[2-aminoethyl(2-hydroxyethyl)amino]-N-[(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]propanamide;tert-butyl N-[2-[[3-[[(10S)-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]-3-oxopropyl]-[2-(oxan-2-yloxy)ethyl]amino]ethyl]carbamate;tert-butyl 4-[2-(oxan-2-yloxy)ethyl-(3-oxo-3-phenylmethoxypropyl)amino]butanoate;tert-butyl 4-[(3-oxo-3-phenylmethoxypropyl)amino]butanoate;methanesulfonic acid;3-[[4-[(2-methylpropan-2-yl)oxy]-4-oxobutyl]-[2-(oxan-2-yloxy)ethyl]amino]propanoic acid is sourced from PubChem (CID 163830803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).