[(2R,3R,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-amino-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;(2R)-2-amino-3-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid;(2R)-6-[5-[[4-[[(2R)-1-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-4-oxobutanoyl]amino]-2-[[methyl(methylamino)amino]methyl]indol-1-yl]-2-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-4-oxohexane-1-sulfonic acid;3-[2-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-sulfohexoxy]ethoxy]propanoic acid

C273H350N30O90S4 — CID 167653261

About [(2R,3R,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-amino-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;(2R)-2-amino-3-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid;(2R)-6-[5-[[4-[[(2R)-1-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-4-oxobutanoyl]amino]-2-[[methyl(methylamino)amino]methyl]indol-1-yl]-2-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-4-oxohexane-1-sulfonic acid;3-[2-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-sulfohexoxy]ethoxy]propanoic acid

[(2R,3R,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-amino-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;(2R)-2-amino-3-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid;(2R)-6-[5-[[4-[[(2R)-1-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-4-oxobutanoyl]amino]-2-[[methyl(methylamino)amino]methyl]indol-1-yl]-2-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-4-oxohexane-1-sulfonic acid;3-[2-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-sulfohexoxy]ethoxy]propanoic acid (PubChem CID 167653261) has the molecular formula C273H350N30O90S4 and a molecular weight of 5620.19 g/mol. Its IUPAC name is [(2R,3R,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-amino-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;(2R)-2-amino-3-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid;(2R)-6-[5-[[4-[[(2R)-1-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-4-oxobutanoyl]amino]-2-[[methyl(methylamino)amino]methyl]indol-1-yl]-2-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-4-oxohexane-1-sulfonic acid;3-[2-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-sulfohexoxy]ethoxy]propanoic acid.

Molecular Properties

• Compound Name: [(2R,3R,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-amino-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;(2R)-2-amino-3-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid;(2R)-6-[5-[[4-[[(2R)-1-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-4-oxobutanoyl]amino]-2-[[methyl(methylamino)amino]methyl]indol-1-yl]-2-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-4-oxohexane-1-sulfonic acid;3-[2-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-sulfohexoxy]ethoxy]propanoic acid
• PubChem CID: 167653261
• Molecular Formula: C273H350N30O90S4
• Molecular Weight: 5620.19 g/mol
• Exact Mass: 5616.26
• IUPAC Name: [(2R,3R,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-amino-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;(2R)-2-amino-3-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid;(2R)-6-[5-[[4-[[(2R)-1-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-4-oxobutanoyl]amino]-2-[[methyl(methylamino)amino]methyl]indol-1-yl]-2-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-4-oxohexane-1-sulfonic acid;3-[2-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-sulfohexoxy]ethoxy]propanoic acid
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)C(NC(=O)CCOCCOCCNC(=O)[C@@H](CC(=O)CCn2c(CN(C)NC)cc3cc(NC(=O)CCC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCOCCOCCC(=O)N[C@H](C(=O)C[C@@H](C)C(=O)Nc4ccc(COC(=O)N(CCc5c6c(nc7ccccc57)-c5cc7c(c(=O)n5C6)COC(=O)[C@]7(O)CC)C(C)C)cc4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C(C)C)ccc32)CS(=O)(=O)O)C(C)C)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1)C(C)C.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](N)C(C)C)c(O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](C)C2C)c1)C(C)C.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)[C@@H](N)CS(=O)(=O)O)C(C)C)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1)C(C)C.O=C(O)CCOCCOCCCC(=O)[C@H](CS(=O)(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21
• InChI: InChI=1S/C135H175N17O45S2.C58H77N7O21S.C54H67N5O14.C26H31NO10S/c1-15-134(178)92-58-100-114-88(61-151(100)126(172)90(92)67-190-130(134)174)84(86-21-17-19-23-94(86)141-114)34-41-148(73(7)8)132(176)192-65-77-25-28-96(104(53-77)194-128-120(166)118(164)116(162)106(63-153)196-128)143-122(168)75(11)51-102(156)112(71(3)4)145-110(160)36-43-186-47-49-188-45-38-137-124(170)80(69-198(180,181)182)57-83(155)33-40-150-82(60-147(14)136-13)56-79-55-81(27-30-99(79)150)139-108(158)31-32-109(159)140-98(70-199(183,184)185)125(171)138-39-46-189-50-48-187-44-37-111(161)146-113(72(5)6)103(157)52-76(12)123(169)144-97-29-26-78(54-105(97)195-129-121(167)119(165)117(163)107(64-154)197-129)66-193-133(177)149(74(9)10)42-35-85-87-22-18-20-24-95(87)142-115-89(85)62-152-101(115)59-93-91(127(152)173)68-191-131(175)135(93,179)16-2;1-7-58(77)38-24-42-48-36(25-65(42)54(74)37(38)28-83-56(58)75)34(35-10-8-9-11-40(35)61-48)14-17-64(31(4)5)57(76)84-27-33-12-13-41(44(23-33)85-55-51(71)50(70)49(69)45(26-66)86-55)62-52(72)32(6)22-43(67)47(30(2)3)63-46(68)15-18-81-20-21-82-19-16-60-53(73)39(59)29-87(78,79)80;1-11-54(67)39-22-42-47-37(23-59(42)50(64)38(39)25-69-52(54)65)35(36-14-12-13-15-40(36)56-47)18-19-58(28(4)5)53(66)70-24-34-16-17-41(57-49(63)29(6)20-43(62)46(55)27(2)3)44(21-34)72-51-31(8)30(7)48(71-33(10)61)45(73-51)26-68-32(9)60;28-24(10-5-12-35-14-15-36-13-11-25(29)30)23(17-38(32,33)34)27-26(31)37-16-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22/h17-30,53-56,58-59,71-76,80,98,106-107,112-113,116-121,128-129,136,153-154,162-167,178-179H,15-16,31-52,57,60-70H2,1-14H3,(H,137,170)(H,138,171)(H,139,158)(H,140,159)(H,143,168)(H,144,169)(H,145,160)(H,146,161)(H,180,181,182)(H,183,184,185);8-13,23-24,30-32,39,45,47,49-51,55,66,69-71,77H,7,14-22,25-29,59H2,1-6H3,(H,60,73)(H,62,72)(H,63,68)(H,78,79,80);12-17,21-22,27-31,45-46,48,51,67H,11,18-20,23-26,55H2,1-10H3,(H,57,63);1-4,6-9,22-23H,5,10-17H2,(H,27,31)(H,29,30)(H,32,33,34)/t75-,76-,80+,98+,106-,107-,112?,113+,116+,117+,118+,119+,120-,121-,128-,129-,134+,135+;32-,39+,45-,47+,49+,50+,51-,55-,58+;29-,30-,31?,45-,46+,48-,51-,54+;23-/m1110/s1
• InChIKey: QWRQPEWFVJASIX-WISJLCSNSA-N
• XLogP: 12.28
• TPSA: 1703.85 Ų
• H-Bond Donors: 37
• H-Bond Acceptors: 98
• Rotatable Bonds: 134
• Heavy Atoms: 397
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5620.19
LogP ≤ 5	12.28
H-Bond Donors ≤ 5	37
H-Bond Acceptors ≤ 10	98

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-amino-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;(2R)-2-amino-3-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid;(2R)-6-[5-[[4-[[(2R)-1-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-4-oxobutanoyl]amino]-2-[[methyl(methylamino)amino]methyl]indol-1-yl]-2-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-4-oxohexane-1-sulfonic acid;3-[2-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-sulfohexoxy]ethoxy]propanoic acid?

The IUPAC name of [(2R,3R,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-amino-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;(2R)-2-amino-3-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid;(2R)-6-[5-[[4-[[(2R)-1-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-4-oxobutanoyl]amino]-2-[[methyl(methylamino)amino]methyl]indol-1-yl]-2-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-4-oxohexane-1-sulfonic acid;3-[2-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-sulfohexoxy]ethoxy]propanoic acid (CID 167653261) is [(2R,3R,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-amino-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;(2R)-2-amino-3-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid;(2R)-6-[5-[[4-[[(2R)-1-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-4-oxobutanoyl]amino]-2-[[methyl(methylamino)amino]methyl]indol-1-yl]-2-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-4-oxohexane-1-sulfonic acid;3-[2-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-sulfohexoxy]ethoxy]propanoic acid.

What is the SMILES notation for [(2R,3R,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-amino-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;(2R)-2-amino-3-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid;(2R)-6-[5-[[4-[[(2R)-1-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-4-oxobutanoyl]amino]-2-[[methyl(methylamino)amino]methyl]indol-1-yl]-2-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-4-oxohexane-1-sulfonic acid;3-[2-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-sulfohexoxy]ethoxy]propanoic acid?

The canonical SMILES for [(2R,3R,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-amino-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;(2R)-2-amino-3-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid;(2R)-6-[5-[[4-[[(2R)-1-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-4-oxobutanoyl]amino]-2-[[methyl(methylamino)amino]methyl]indol-1-yl]-2-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-4-oxohexane-1-sulfonic acid;3-[2-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-sulfohexoxy]ethoxy]propanoic acid is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)C(NC(=O)CCOCCOCCNC(=O)[C@@H](CC(=O)CCn2c(CN(C)NC)cc3cc(NC(=O)CCC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCCOCCOCCC(=O)N[C@H](C(=O)C[C@@H](C)C(=O)Nc4ccc(COC(=O)N(CCc5c6c(nc7ccccc57)-c5cc7c(c(=O)n5C6)COC(=O)[C@]7(O)CC)C(C)C)cc4O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)C(C)C)ccc32)CS(=O)(=O)O)C(C)C)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1)C(C)C.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](N)C(C)C)c(O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](C)C2C)c1)C(C)C.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCN(C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCOCCOCCNC(=O)[C@@H](N)CS(=O)(=O)O)C(C)C)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1)C(C)C.O=C(O)CCOCCOCCCC(=O)[C@H](CS(=O)(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21.

What is the InChIKey of [(2R,3R,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-amino-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;(2R)-2-amino-3-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid;(2R)-6-[5-[[4-[[(2R)-1-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-4-oxobutanoyl]amino]-2-[[methyl(methylamino)amino]methyl]indol-1-yl]-2-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-4-oxohexane-1-sulfonic acid;3-[2-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-sulfohexoxy]ethoxy]propanoic acid?

The InChIKey is QWRQPEWFVJASIX-WISJLCSNSA-N. The full InChI is InChI=1S/C135H175N17O45S2.C58H77N7O21S.C54H67N5O14.C26H31NO10S/c1-15-134(178)92-58-100-114-88(61-151(100)126(172)90(92)67-190-130(134)174)84(86-21-17-19-23-94(86)141-114)34-41-148(73(7)8)132(176)192-65-77-25-28-96(104(53-77)194-128-120(166)118(164)116(162)106(63-153)196-128)143-122(168)75(11)51-102(156)112(71(3)4)145-110(160)36-43-186-47-49-188-45-38-137-124(170)80(69-198(180,181)182)57-83(155)33-40-150-82(60-147(14)136-13)56-79-55-81(27-30-99(79)150)139-108(158)31-32-109(159)140-98(70-199(183,184)185)125(171)138-39-46-189-50-48-187-44-37-111(161)146-113(72(5)6)103(157)52-76(12)123(169)144-97-29-26-78(54-105(97)195-129-121(167)119(165)117(163)107(64-154)197-129)66-193-133(177)149(74(9)10)42-35-85-87-22-18-20-24-95(87)142-115-89(85)62-152-101(115)59-93-91(127(152)173)68-191-131(175)135(93,179)16-2;1-7-58(77)38-24-42-48-36(25-65(42)54(74)37(38)28-83-56(58)75)34(35-10-8-9-11-40(35)61-48)14-17-64(31(4)5)57(76)84-27-33-12-13-41(44(23-33)85-55-51(71)50(70)49(69)45(26-66)86-55)62-52(72)32(6)22-43(67)47(30(2)3)63-46(68)15-18-81-20-21-82-19-16-60-53(73)39(59)29-87(78,79)80;1-11-54(67)39-22-42-47-37(23-59(42)50(64)38(39)25-69-52(54)65)35(36-14-12-13-15-40(36)56-47)18-19-58(28(4)5)53(66)70-24-34-16-17-41(57-49(63)29(6)20-43(62)46(55)27(2)3)44(21-34)72-51-31(8)30(7)48(71-33(10)61)45(73-51)26-68-32(9)60;28-24(10-5-12-35-14-15-36-13-11-25(29)30)23(17-38(32,33)34)27-26(31)37-16-22-20-8-3-1-6-18(20)19-7-2-4-9-21(19)22/h17-30,53-56,58-59,71-76,80,98,106-107,112-113,116-121,128-129,136,153-154,162-167,178-179H,15-16,31-52,57,60-70H2,1-14H3,(H,137,170)(H,138,171)(H,139,158)(H,140,159)(H,143,168)(H,144,169)(H,145,160)(H,146,161)(H,180,181,182)(H,183,184,185);8-13,23-24,30-32,39,45,47,49-51,55,66,69-71,77H,7,14-22,25-29,59H2,1-6H3,(H,60,73)(H,62,72)(H,63,68)(H,78,79,80);12-17,21-22,27-31,45-46,48,51,67H,11,18-20,23-26,55H2,1-10H3,(H,57,63);1-4,6-9,22-23H,5,10-17H2,(H,27,31)(H,29,30)(H,32,33,34)/t75-,76-,80+,98+,106-,107-,112?,113+,116+,117+,118+,119+,120-,121-,128-,129-,134+,135+;32-,39+,45-,47+,49+,50+,51-,55-,58+;29-,30-,31?,45-,46+,48-,51-,54+;23-/m1110/s1.

What are the key properties of [(2R,3R,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-amino-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;(2R)-2-amino-3-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid;(2R)-6-[5-[[4-[[(2R)-1-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-4-oxobutanoyl]amino]-2-[[methyl(methylamino)amino]methyl]indol-1-yl]-2-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-4-oxohexane-1-sulfonic acid;3-[2-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-sulfohexoxy]ethoxy]propanoic acid?

[(2R,3R,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-amino-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;(2R)-2-amino-3-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid;(2R)-6-[5-[[4-[[(2R)-1-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-4-oxobutanoyl]amino]-2-[[methyl(methylamino)amino]methyl]indol-1-yl]-2-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-4-oxohexane-1-sulfonic acid;3-[2-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-sulfohexoxy]ethoxy]propanoic acid has a molecular weight of 5620.19 g/mol, XLogP of 12.28, 134 rotatable bonds, 37 hydrogen bond donors, and 98 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R,3R,4R,5R,6S)-3-acetyloxy-6-[2-[[(2R,5S)-5-amino-2,6-dimethyl-4-oxoheptanoyl]amino]-5-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]phenoxy]-4,5-dimethyloxan-2-yl]methyl acetate;(2R)-2-amino-3-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-3-oxopropane-1-sulfonic acid;(2R)-6-[5-[[4-[[(2R)-1-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylamino]-1-oxo-3-sulfopropan-2-yl]amino]-4-oxobutanoyl]amino]-2-[[methyl(methylamino)amino]methyl]indol-1-yl]-2-[2-[2-[3-[[(3S,6R)-7-[4-[[2-[(19S)-19-ethyl-19-hydroxy-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-10-yl]ethyl-propan-2-ylcarbamoyl]oxymethyl]-2-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropoxy]ethoxy]ethylcarbamoyl]-4-oxohexane-1-sulfonic acid;3-[2-[(5R)-5-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-6-sulfohexoxy]ethoxy]propanoic acid is sourced from PubChem (CID 167653261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).