(2R)-N-[(3S,6R)-7-[[2-[[(19S)-10,19-diethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-2-[7-(2,5-dioxopyrrol-1-yl)-2-oxoheptyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide;(2,5-dioxopyrrolidin-1-yl) 9-[[(3S,6R)-7-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-6,9-dioxononanoate;(5S,11S,12R,13R,14R)-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-[(2S)-6-[[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-3,6-dioxo-1-phenylhexan-2-yl]-11,12,13,14,15-pentahydroxy-4,8-dioxopentadecanamide;(2R,5S)-5-[[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-4-oxopentanoyl]amino]-N-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethyl]-2,6-dimethyl-4-oxoheptanamide;methane

C214H269F4N25O62 — CID 159091377

About (2R)-N-[(3S,6R)-7-[[2-[[(19S)-10,19-diethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-2-[7-(2,5-dioxopyrrol-1-yl)-2-oxoheptyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide;(2,5-dioxopyrrolidin-1-yl) 9-[[(3S,6R)-7-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-6,9-dioxononanoate;(5S,11S,12R,13R,14R)-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-[(2S)-6-[[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-3,6-dioxo-1-phenylhexan-2-yl]-11,12,13,14,15-pentahydroxy-4,8-dioxopentadecanamide;(2R,5S)-5-[[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-4-oxopentanoyl]amino]-N-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethyl]-2,6-dimethyl-4-oxoheptanamide;methane

(2R)-N-[(3S,6R)-7-[[2-[[(19S)-10,19-diethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-2-[7-(2,5-dioxopyrrol-1-yl)-2-oxoheptyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide;(2,5-dioxopyrrolidin-1-yl) 9-[[(3S,6R)-7-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-6,9-dioxononanoate;(5S,11S,12R,13R,14R)-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-[(2S)-6-[[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-3,6-dioxo-1-phenylhexan-2-yl]-11,12,13,14,15-pentahydroxy-4,8-dioxopentadecanamide;(2R,5S)-5-[[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-4-oxopentanoyl]amino]-N-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethyl]-2,6-dimethyl-4-oxoheptanamide;methane (PubChem CID 159091377) has the molecular formula C214H269F4N25O62 and a molecular weight of 4259.61 g/mol. Its IUPAC name is (2R)-N-[(3S,6R)-7-[[2-[[(19S)-10,19-diethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-2-[7-(2,5-dioxopyrrol-1-yl)-2-oxoheptyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide;(2,5-dioxopyrrolidin-1-yl) 9-[[(3S,6R)-7-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-6,9-dioxononanoate;(5S,11S,12R,13R,14R)-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-[(2S)-6-[[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-3,6-dioxo-1-phenylhexan-2-yl]-11,12,13,14,15-pentahydroxy-4,8-dioxopentadecanamide;(2R,5S)-5-[[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-4-oxopentanoyl]amino]-N-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethyl]-2,6-dimethyl-4-oxoheptanamide;methane.

Molecular Properties

• Compound Name: (2R)-N-[(3S,6R)-7-[[2-[[(19S)-10,19-diethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-2-[7-(2,5-dioxopyrrol-1-yl)-2-oxoheptyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide;(2,5-dioxopyrrolidin-1-yl) 9-[[(3S,6R)-7-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-6,9-dioxononanoate;(5S,11S,12R,13R,14R)-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-[(2S)-6-[[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-3,6-dioxo-1-phenylhexan-2-yl]-11,12,13,14,15-pentahydroxy-4,8-dioxopentadecanamide;(2R,5S)-5-[[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-4-oxopentanoyl]amino]-N-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethyl]-2,6-dimethyl-4-oxoheptanamide;methane
• PubChem CID: 159091377
• Molecular Formula: C214H269F4N25O62
• Molecular Weight: 4259.61 g/mol
• Exact Mass: 4256.86
• IUPAC Name: (2R)-N-[(3S,6R)-7-[[2-[[(19S)-10,19-diethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-2-[7-(2,5-dioxopyrrol-1-yl)-2-oxoheptyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide;(2,5-dioxopyrrolidin-1-yl) 9-[[(3S,6R)-7-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-6,9-dioxononanoate;(5S,11S,12R,13R,14R)-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-[(2S)-6-[[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-3,6-dioxo-1-phenylhexan-2-yl]-11,12,13,14,15-pentahydroxy-4,8-dioxopentadecanamide;(2R,5S)-5-[[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-4-oxopentanoyl]amino]-N-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethyl]-2,6-dimethyl-4-oxoheptanamide;methane
• SMILES: C.C.C.C.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CCCCOCNC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCC(=O)CCCCC(=O)ON4C(=O)CCC4=O)C(C)C)c(C)c(F)cc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CCCCOCNC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCC(=O)CNC(=O)CN4C(=O)C=CC4=O)C(C)C)c(C)c(F)cc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CNC(=O)COCNC(=O)CCC(=O)[C@H](Cc4ccccc4)NC(=O)CCC(=O)[C@H](CCC(=O)CC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)CN4C(=O)C=CC4=O)c(C)c(F)cc3nc2-1.CCc1c2c(nc3cc(F)c(C)c(CNC(=O)COCNC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC(=O)CCCCCN4C(=O)C=CC4=O)C(C)C)c13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC
• InChI: InChI=1S/C58H66FN7O19.C58H76FN7O18.C48H58FN5O13.C46H53FN6O12.4CH4/c1-3-58(83)37-21-42-53-32(24-65(42)56(81)36(37)27-85-57(58)82)20-34-35(30(2)38(59)22-40(34)64-53)23-60-50(76)28-84-29-61-47(73)15-13-44(70)41(19-31-7-5-4-6-8-31)63-48(74)16-14-43(69)39(62-49(75)25-66-51(77)17-18-52(66)78)11-9-33(68)10-12-45(71)54(79)55(80)46(72)26-67;1-7-34-36-24-66-41(20-38-37(56(66)80)26-84-57(81)58(38,82)8-2)51(36)63-40-21-39(59)31(6)35(49(34)40)22-60-46(73)27-83-28-62-54(78)30(5)18-42(69)50(29(3)4)64-55(79)32(13-14-45(72)61-23-43(70)52(76)53(77)44(71)25-67)19-33(68)12-10-9-11-17-65-47(74)15-16-48(65)75;1-6-48(64)34-21-37-44-29(23-53(37)46(62)33(34)24-66-47(48)63)20-32-31(28(5)35(49)22-36(32)51-44)12-9-10-18-65-25-50-45(61)27(4)19-38(56)43(26(2)3)52-39(57)15-14-30(55)11-7-8-13-42(60)67-54-40(58)16-17-41(54)59;1-6-46(63)32-17-35-42-27(20-52(35)44(61)31(32)22-65-45(46)62)16-30-29(26(5)33(47)18-34(30)50-42)9-7-8-14-64-23-49-43(60)25(4)15-36(55)41(24(2)3)51-37(56)11-10-28(54)19-48-38(57)21-53-39(58)12-13-40(53)59;;;;/h4-8,17-18,20-22,39,41,45-46,54-55,67,71-72,79-80,83H,3,9-16,19,23-29H2,1-2H3,(H,60,76)(H,61,73)(H,62,75)(H,63,74);15-16,20-21,29-30,32,43-44,50,52-53,67,70-71,76-77,82H,7-14,17-19,22-28H2,1-6H3,(H,60,73)(H,61,72)(H,62,78)(H,64,79);20-22,26-27,43,64H,6-19,23-25H2,1-5H3,(H,50,61)(H,52,57);12-13,16-18,24-25,41,63H,6-11,14-15,19-23H2,1-5H3,(H,48,57)(H,49,60)(H,51,56);4*1H4/t39-,41-,45-,46+,54+,55+,58-;30-,32-,43+,44-,50+,52-,53-,58+;27-,43+,48+;25-,41+,46+;;;;/m0111..../s1
• InChIKey: KCCHRLPUSPRPMM-HSRMGRQISA-N
• XLogP: 7.36
• TPSA: 1272.65 Ų
• H-Bond Donors: 27
• H-Bond Acceptors: 70
• Rotatable Bonds: 107
• Heavy Atoms: 305
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4259.61
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	27
H-Bond Acceptors ≤ 10	70

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3S,6R)-7-[[2-[[(19S)-10,19-diethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-2-[7-(2,5-dioxopyrrol-1-yl)-2-oxoheptyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide;(2,5-dioxopyrrolidin-1-yl) 9-[[(3S,6R)-7-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-6,9-dioxononanoate;(5S,11S,12R,13R,14R)-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-[(2S)-6-[[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-3,6-dioxo-1-phenylhexan-2-yl]-11,12,13,14,15-pentahydroxy-4,8-dioxopentadecanamide;(2R,5S)-5-[[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-4-oxopentanoyl]amino]-N-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethyl]-2,6-dimethyl-4-oxoheptanamide;methane?

The IUPAC name of (2R)-N-[(3S,6R)-7-[[2-[[(19S)-10,19-diethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-2-[7-(2,5-dioxopyrrol-1-yl)-2-oxoheptyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide;(2,5-dioxopyrrolidin-1-yl) 9-[[(3S,6R)-7-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-6,9-dioxononanoate;(5S,11S,12R,13R,14R)-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-[(2S)-6-[[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-3,6-dioxo-1-phenylhexan-2-yl]-11,12,13,14,15-pentahydroxy-4,8-dioxopentadecanamide;(2R,5S)-5-[[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-4-oxopentanoyl]amino]-N-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethyl]-2,6-dimethyl-4-oxoheptanamide;methane (CID 159091377) is (2R)-N-[(3S,6R)-7-[[2-[[(19S)-10,19-diethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-2-[7-(2,5-dioxopyrrol-1-yl)-2-oxoheptyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide;(2,5-dioxopyrrolidin-1-yl) 9-[[(3S,6R)-7-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-6,9-dioxononanoate;(5S,11S,12R,13R,14R)-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-[(2S)-6-[[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-3,6-dioxo-1-phenylhexan-2-yl]-11,12,13,14,15-pentahydroxy-4,8-dioxopentadecanamide;(2R,5S)-5-[[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-4-oxopentanoyl]amino]-N-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethyl]-2,6-dimethyl-4-oxoheptanamide;methane.

What is the SMILES notation for (2R)-N-[(3S,6R)-7-[[2-[[(19S)-10,19-diethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-2-[7-(2,5-dioxopyrrol-1-yl)-2-oxoheptyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide;(2,5-dioxopyrrolidin-1-yl) 9-[[(3S,6R)-7-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-6,9-dioxononanoate;(5S,11S,12R,13R,14R)-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-[(2S)-6-[[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-3,6-dioxo-1-phenylhexan-2-yl]-11,12,13,14,15-pentahydroxy-4,8-dioxopentadecanamide;(2R,5S)-5-[[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-4-oxopentanoyl]amino]-N-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethyl]-2,6-dimethyl-4-oxoheptanamide;methane?

The canonical SMILES for (2R)-N-[(3S,6R)-7-[[2-[[(19S)-10,19-diethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-2-[7-(2,5-dioxopyrrol-1-yl)-2-oxoheptyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide;(2,5-dioxopyrrolidin-1-yl) 9-[[(3S,6R)-7-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-6,9-dioxononanoate;(5S,11S,12R,13R,14R)-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-[(2S)-6-[[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-3,6-dioxo-1-phenylhexan-2-yl]-11,12,13,14,15-pentahydroxy-4,8-dioxopentadecanamide;(2R,5S)-5-[[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-4-oxopentanoyl]amino]-N-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethyl]-2,6-dimethyl-4-oxoheptanamide;methane is C.C.C.C.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CCCCOCNC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCC(=O)CCCCC(=O)ON4C(=O)CCC4=O)C(C)C)c(C)c(F)cc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CCCCOCNC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCC(=O)CNC(=O)CN4C(=O)C=CC4=O)C(C)C)c(C)c(F)cc3nc2-1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CNC(=O)COCNC(=O)CCC(=O)[C@H](Cc4ccccc4)NC(=O)CCC(=O)[C@H](CCC(=O)CC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)NC(=O)CN4C(=O)C=CC4=O)c(C)c(F)cc3nc2-1.CCc1c2c(nc3cc(F)c(C)c(CNC(=O)COCNC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)[C@H](CCC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CC(=O)CCCCCN4C(=O)C=CC4=O)C(C)C)c13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.

What is the InChIKey of (2R)-N-[(3S,6R)-7-[[2-[[(19S)-10,19-diethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-2-[7-(2,5-dioxopyrrol-1-yl)-2-oxoheptyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide;(2,5-dioxopyrrolidin-1-yl) 9-[[(3S,6R)-7-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-6,9-dioxononanoate;(5S,11S,12R,13R,14R)-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-[(2S)-6-[[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-3,6-dioxo-1-phenylhexan-2-yl]-11,12,13,14,15-pentahydroxy-4,8-dioxopentadecanamide;(2R,5S)-5-[[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-4-oxopentanoyl]amino]-N-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethyl]-2,6-dimethyl-4-oxoheptanamide;methane?

The InChIKey is KCCHRLPUSPRPMM-HSRMGRQISA-N. The full InChI is InChI=1S/C58H66FN7O19.C58H76FN7O18.C48H58FN5O13.C46H53FN6O12.4CH4/c1-3-58(83)37-21-42-53-32(24-65(42)56(81)36(37)27-85-57(58)82)20-34-35(30(2)38(59)22-40(34)64-53)23-60-50(76)28-84-29-61-47(73)15-13-44(70)41(19-31-7-5-4-6-8-31)63-48(74)16-14-43(69)39(62-49(75)25-66-51(77)17-18-52(66)78)11-9-33(68)10-12-45(71)54(79)55(80)46(72)26-67;1-7-34-36-24-66-41(20-38-37(56(66)80)26-84-57(81)58(38,82)8-2)51(36)63-40-21-39(59)31(6)35(49(34)40)22-60-46(73)27-83-28-62-54(78)30(5)18-42(69)50(29(3)4)64-55(79)32(13-14-45(72)61-23-43(70)52(76)53(77)44(71)25-67)19-33(68)12-10-9-11-17-65-47(74)15-16-48(65)75;1-6-48(64)34-21-37-44-29(23-53(37)46(62)33(34)24-66-47(48)63)20-32-31(28(5)35(49)22-36(32)51-44)12-9-10-18-65-25-50-45(61)27(4)19-38(56)43(26(2)3)52-39(57)15-14-30(55)11-7-8-13-42(60)67-54-40(58)16-17-41(54)59;1-6-46(63)32-17-35-42-27(20-52(35)44(61)31(32)22-65-45(46)62)16-30-29(26(5)33(47)18-34(30)50-42)9-7-8-14-64-23-49-43(60)25(4)15-36(55)41(24(2)3)51-37(56)11-10-28(54)19-48-38(57)21-53-39(58)12-13-40(53)59;;;;/h4-8,17-18,20-22,39,41,45-46,54-55,67,71-72,79-80,83H,3,9-16,19,23-29H2,1-2H3,(H,60,76)(H,61,73)(H,62,75)(H,63,74);15-16,20-21,29-30,32,43-44,50,52-53,67,70-71,76-77,82H,7-14,17-19,22-28H2,1-6H3,(H,60,73)(H,61,72)(H,62,78)(H,64,79);20-22,26-27,43,64H,6-19,23-25H2,1-5H3,(H,50,61)(H,52,57);12-13,16-18,24-25,41,63H,6-11,14-15,19-23H2,1-5H3,(H,48,57)(H,49,60)(H,51,56);4*1H4/t39-,41-,45-,46+,54+,55+,58-;30-,32-,43+,44-,50+,52-,53-,58+;27-,43+,48+;25-,41+,46+;;;;/m0111..../s1.

What are the key properties of (2R)-N-[(3S,6R)-7-[[2-[[(19S)-10,19-diethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-2-[7-(2,5-dioxopyrrol-1-yl)-2-oxoheptyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide;(2,5-dioxopyrrolidin-1-yl) 9-[[(3S,6R)-7-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-6,9-dioxononanoate;(5S,11S,12R,13R,14R)-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-[(2S)-6-[[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-3,6-dioxo-1-phenylhexan-2-yl]-11,12,13,14,15-pentahydroxy-4,8-dioxopentadecanamide;(2R,5S)-5-[[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-4-oxopentanoyl]amino]-N-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethyl]-2,6-dimethyl-4-oxoheptanamide;methane?

(2R)-N-[(3S,6R)-7-[[2-[[(19S)-10,19-diethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-2-[7-(2,5-dioxopyrrol-1-yl)-2-oxoheptyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide;(2,5-dioxopyrrolidin-1-yl) 9-[[(3S,6R)-7-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-6,9-dioxononanoate;(5S,11S,12R,13R,14R)-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-[(2S)-6-[[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-3,6-dioxo-1-phenylhexan-2-yl]-11,12,13,14,15-pentahydroxy-4,8-dioxopentadecanamide;(2R,5S)-5-[[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-4-oxopentanoyl]amino]-N-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethyl]-2,6-dimethyl-4-oxoheptanamide;methane has a molecular weight of 4259.61 g/mol, XLogP of 7.36, 107 rotatable bonds, 27 hydrogen bond donors, and 70 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(3S,6R)-7-[[2-[[(19S)-10,19-diethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]-2-[7-(2,5-dioxopyrrol-1-yl)-2-oxoheptyl]-N'-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanediamide;(2,5-dioxopyrrolidin-1-yl) 9-[[(3S,6R)-7-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethylamino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-6,9-dioxononanoate;(5S,11S,12R,13R,14R)-5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N-[(2S)-6-[[2-[[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]methylamino]-2-oxoethoxy]methylamino]-3,6-dioxo-1-phenylhexan-2-yl]-11,12,13,14,15-pentahydroxy-4,8-dioxopentadecanamide;(2R,5S)-5-[[5-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-4-oxopentanoyl]amino]-N-[4-[(19S)-19-ethyl-6-fluoro-19-hydroxy-7-methyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-8-yl]butoxymethyl]-2,6-dimethyl-4-oxoheptanamide;methane is sourced from PubChem (CID 159091377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).