[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-(octanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;(Z,4S)-4-hydroxy-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxobutyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate

C277H423N25O65S4 — CID 157071270

About [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-(octanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;(Z,4S)-4-hydroxy-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxobutyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate

[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-(octanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;(Z,4S)-4-hydroxy-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxobutyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate (PubChem CID 157071270) has the molecular formula C277H423N25O65S4 and a molecular weight of 5271.81 g/mol. Its IUPAC name is [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-(octanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;(Z,4S)-4-hydroxy-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxobutyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate.

Molecular Properties

• Compound Name: [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-(octanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;(Z,4S)-4-hydroxy-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxobutyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate
• PubChem CID: 157071270
• Molecular Formula: C277H423N25O65S4
• Molecular Weight: 5271.81 g/mol
• Exact Mass: 5267.94
• IUPAC Name: [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-(octanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;(Z,4S)-4-hydroxy-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxobutyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate
• SMILES: CCC(=O)C[C@@H]1C[C@@]2(CO2)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)OC(=O)N3CCCCC3)C[C@@H]2C)O1.CCCCCCCC(=O)N[C@H](C(=O)CC(CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCC(=O)C[C@@H]2C[C@@]3(CO3)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]3O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]3C)O2)cc1)C(C)C.CSCC(=O)CCCCCCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCC(=O)C[C@@H]2C[C@@]3(CO3)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]3O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]3C)O2)cc1)C(C)C.CSCC(=O)CCCCCCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCC(=O)C[C@@H]2C[C@@]3(CO3)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]3O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)OC(C)=O)C[C@@H]3C)O2)cc1)C(C)C.CSCC(=O)NCCCC(=O)C[C@@H]1C[C@@]2(CO2)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)O)C[C@@H]2C)O1.CSCC(=O)NCCCC(=O)C[C@@H]1C[C@@]2(CO2)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)OC(=O)N3CCCCC3)C[C@@H]2C)O1
• InChI: InChI=1S/C59H88N6O15S.C58H88N6O13S.C56H86N6O12.C38H59N3O9S.C34H52N2O8.C32H50N2O8S/c1-36(2)54(65-52(70)16-12-10-9-11-15-45(67)34-81-8)49(69)29-43(14-13-27-61-57(60)74)56(73)63-44-22-20-42(21-23-44)33-76-58(75)62-32-46(68)30-47-31-59(35-77-59)55(72)51(80-47)25-18-37(3)17-24-50-38(4)28-48(40(6)79-50)64-53(71)26-19-39(5)78-41(7)66;1-36(2)17-26-52(69)63-47-28-39(6)49(76-40(47)7)24-18-38(5)19-25-50-54(70)58(35-75-58)31-46(77-50)30-45(66)32-61-57(73)74-33-41-20-22-43(23-21-41)62-55(71)42(14-13-27-60-56(59)72)29-48(67)53(37(3)4)64-51(68)16-12-10-9-11-15-44(65)34-78-8;1-9-10-11-12-13-16-49(65)62-51(36(4)5)46(64)29-41(15-14-27-58-54(57)69)53(68)60-42-22-20-40(21-23-42)33-71-55(70)59-32-43(63)30-44-31-56(34-72-56)52(67)48(74-44)25-19-37(6)18-24-47-38(7)28-45(39(8)73-47)61-50(66)26-17-35(2)3;1-25(12-15-33-36(45)38(24-47-38)22-30(50-33)21-29(42)10-9-17-39-35(44)23-51-5)11-14-32-26(2)20-31(28(4)49-32)40-34(43)16-13-27(3)48-37(46)41-18-7-6-8-19-41;1-6-26(37)19-27-20-34(21-41-34)32(39)30(44-27)14-11-22(2)10-13-29-23(3)18-28(25(5)43-29)35-31(38)15-12-24(4)42-33(40)36-16-8-7-9-17-36;1-20(8-11-27-21(2)15-26(23(4)41-27)34-29(37)13-10-22(3)35)9-12-28-31(39)32(19-40-32)17-25(42-28)16-24(36)7-6-14-33-30(38)18-43-5/h17-23,25-26,36,38-40,43,47-48,50-51,54-55,72H,9-16,24,27-35H2,1-8H3,(H,62,75)(H,63,73)(H,64,71)(H,65,70)(H3,60,61,74);17-23,25-26,36-37,39-40,42,46-47,49-50,53-54,70H,9-16,24,27-35H2,1-8H3,(H,61,73)(H,62,71)(H,63,69)(H,64,68)(H3,59,60,72);17-23,25-26,35-36,38-39,41,44-45,47-48,51-52,67H,9-16,24,27-34H2,1-8H3,(H,59,70)(H,60,68)(H,61,66)(H,62,65)(H3,57,58,69);11-13,15-16,26-28,30-33,36,45H,6-10,14,17-24H2,1-5H3,(H,39,44)(H,40,43);10-12,14-15,23-25,27-30,32,39H,6-9,13,16-21H2,1-5H3,(H,35,38);8-10,12-13,21-23,25-28,31,35,39H,6-7,11,14-19H2,1-5H3,(H,33,38)(H,34,37)/b25-18+,26-19-,37-17+;25-19+,26-17-,38-18+;25-19+,26-17-,37-18+;15-12+,16-13-,25-11+;14-11+,15-12-,22-10+;12-9+,13-10-,20-8+/t38-,39-,40+,43+,47+,48+,50-,51+,54-,55+,59+;39-,40+,42+,46+,47+,49-,50+,53-,54+,58+;38-,39+,41?,44+,45+,47-,48+,51-,52+,56+;26-,27-,28+,30+,31+,32-,33+,36+,38+;23-,24-,25+,27+,28+,29-,30+,32+,34+;21-,22-,23+,25+,26+,27-,28+,31+,32+/m000000/s1
• InChIKey: ACLPQAYTYFAZMH-MYRNDCEISA-N
• XLogP: 31.47
• TPSA: 1288.45 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 69
• Rotatable Bonds: 139
• Heavy Atoms: 371
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5271.81
LogP ≤ 5	31.47
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	69

Frequently Asked Questions

What is the IUPAC name of [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-(octanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;(Z,4S)-4-hydroxy-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxobutyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate?

The IUPAC name of [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-(octanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;(Z,4S)-4-hydroxy-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxobutyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate (CID 157071270) is [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-(octanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;(Z,4S)-4-hydroxy-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxobutyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate.

What is the SMILES notation for [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-(octanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;(Z,4S)-4-hydroxy-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxobutyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate?

The canonical SMILES for [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-(octanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;(Z,4S)-4-hydroxy-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxobutyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate is CCC(=O)C[C@@H]1C[C@@]2(CO2)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)OC(=O)N3CCCCC3)C[C@@H]2C)O1.CCCCCCCC(=O)N[C@H](C(=O)CC(CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCC(=O)C[C@@H]2C[C@@]3(CO3)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]3O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]3C)O2)cc1)C(C)C.CSCC(=O)CCCCCCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCC(=O)C[C@@H]2C[C@@]3(CO3)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]3O[C@H](C)[C@H](NC(=O)/C=C\C(C)C)C[C@@H]3C)O2)cc1)C(C)C.CSCC(=O)CCCCCCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)NCC(=O)C[C@@H]2C[C@@]3(CO3)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]3O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)OC(C)=O)C[C@@H]3C)O2)cc1)C(C)C.CSCC(=O)NCCCC(=O)C[C@@H]1C[C@@]2(CO2)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)O)C[C@@H]2C)O1.CSCC(=O)NCCCC(=O)C[C@@H]1C[C@@]2(CO2)[C@H](O)[C@@H](/C=C/C(C)=C/C[C@@H]2O[C@H](C)[C@H](NC(=O)/C=C\[C@H](C)OC(=O)N3CCCCC3)C[C@@H]2C)O1.

What is the InChIKey of [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-(octanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;(Z,4S)-4-hydroxy-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxobutyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate?

The InChIKey is ACLPQAYTYFAZMH-MYRNDCEISA-N. The full InChI is InChI=1S/C59H88N6O15S.C58H88N6O13S.C56H86N6O12.C38H59N3O9S.C34H52N2O8.C32H50N2O8S/c1-36(2)54(65-52(70)16-12-10-9-11-15-45(67)34-81-8)49(69)29-43(14-13-27-61-57(60)74)56(73)63-44-22-20-42(21-23-44)33-76-58(75)62-32-46(68)30-47-31-59(35-77-59)55(72)51(80-47)25-18-37(3)17-24-50-38(4)28-48(40(6)79-50)64-53(71)26-19-39(5)78-41(7)66;1-36(2)17-26-52(69)63-47-28-39(6)49(76-40(47)7)24-18-38(5)19-25-50-54(70)58(35-75-58)31-46(77-50)30-45(66)32-61-57(73)74-33-41-20-22-43(23-21-41)62-55(71)42(14-13-27-60-56(59)72)29-48(67)53(37(3)4)64-51(68)16-12-10-9-11-15-44(65)34-78-8;1-9-10-11-12-13-16-49(65)62-51(36(4)5)46(64)29-41(15-14-27-58-54(57)69)53(68)60-42-22-20-40(21-23-42)33-71-55(70)59-32-43(63)30-44-31-56(34-72-56)52(67)48(74-44)25-19-37(6)18-24-47-38(7)28-45(39(8)73-47)61-50(66)26-17-35(2)3;1-25(12-15-33-36(45)38(24-47-38)22-30(50-33)21-29(42)10-9-17-39-35(44)23-51-5)11-14-32-26(2)20-31(28(4)49-32)40-34(43)16-13-27(3)48-37(46)41-18-7-6-8-19-41;1-6-26(37)19-27-20-34(21-41-34)32(39)30(44-27)14-11-22(2)10-13-29-23(3)18-28(25(5)43-29)35-31(38)15-12-24(4)42-33(40)36-16-8-7-9-17-36;1-20(8-11-27-21(2)15-26(23(4)41-27)34-29(37)13-10-22(3)35)9-12-28-31(39)32(19-40-32)17-25(42-28)16-24(36)7-6-14-33-30(38)18-43-5/h17-23,25-26,36,38-40,43,47-48,50-51,54-55,72H,9-16,24,27-35H2,1-8H3,(H,62,75)(H,63,73)(H,64,71)(H,65,70)(H3,60,61,74);17-23,25-26,36-37,39-40,42,46-47,49-50,53-54,70H,9-16,24,27-35H2,1-8H3,(H,61,73)(H,62,71)(H,63,69)(H,64,68)(H3,59,60,72);17-23,25-26,35-36,38-39,41,44-45,47-48,51-52,67H,9-16,24,27-34H2,1-8H3,(H,59,70)(H,60,68)(H,61,66)(H,62,65)(H3,57,58,69);11-13,15-16,26-28,30-33,36,45H,6-10,14,17-24H2,1-5H3,(H,39,44)(H,40,43);10-12,14-15,23-25,27-30,32,39H,6-9,13,16-21H2,1-5H3,(H,35,38);8-10,12-13,21-23,25-28,31,35,39H,6-7,11,14-19H2,1-5H3,(H,33,38)(H,34,37)/b25-18+,26-19-,37-17+;25-19+,26-17-,38-18+;25-19+,26-17-,37-18+;15-12+,16-13-,25-11+;14-11+,15-12-,22-10+;12-9+,13-10-,20-8+/t38-,39-,40+,43+,47+,48+,50-,51+,54-,55+,59+;39-,40+,42+,46+,47+,49-,50+,53-,54+,58+;38-,39+,41?,44+,45+,47-,48+,51-,52+,56+;26-,27-,28+,30+,31+,32-,33+,36+,38+;23-,24-,25+,27+,28+,29-,30+,32+,34+;21-,22-,23+,25+,26+,27-,28+,31+,32+/m000000/s1.

What are the key properties of [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-(octanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;(Z,4S)-4-hydroxy-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxobutyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate?

[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-(octanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;(Z,4S)-4-hydroxy-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxobutyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate has a molecular weight of 5271.81 g/mol, XLogP of 31.47, 139 rotatable bonds, 30 hydrogen bond donors, and 69 hydrogen bond acceptors.

Where does this data come from?

All data for [(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-7-[3-[[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methoxycarbonylamino]-2-oxopropyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] acetate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-[(9-methylsulfanyl-8-oxononanoyl)amino]-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;[4-[[(2R,5S)-2-[3-(carbamoylamino)propyl]-6-methyl-5-(octanoylamino)-4-oxoheptanoyl]amino]phenyl]methyl N-[3-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-3,6-dimethyl-5-[[(Z)-4-methylpent-2-enoyl]amino]oxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]-2-oxopropyl]carbamate;(Z,4S)-4-hydroxy-N-[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]pent-2-enamide;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-[5-[(2-methylsulfanylacetyl)amino]-2-oxopentyl]-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate;[(Z,2S)-5-[[(2R,3R,5S,6S)-6-[(2E,4E)-5-[(3R,4R,5R,7S)-4-hydroxy-7-(2-oxobutyl)-1,6-dioxaspiro[2.5]octan-5-yl]-3-methylpenta-2,4-dienyl]-2,5-dimethyloxan-3-yl]amino]-5-oxopent-3-en-2-yl] piperidine-1-carboxylate is sourced from PubChem (CID 157071270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).