[4-[[(2R,5S)-5-[3-[2-[[3-[[(5S)-6-[2-(2-aminooxyethoxy)ethylamino]-5-[3-[2-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-6-oxohexyl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;methane;pentakis(2,2,2-trifluoroacetic acid)

C167H257F15N24O39S2 — CID 159778452

About [4-[[(2R,5S)-5-[3-[2-[[3-[[(5S)-6-[2-(2-aminooxyethoxy)ethylamino]-5-[3-[2-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-6-oxohexyl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;methane;pentakis(2,2,2-trifluoroacetic acid)

[4-[[(2R,5S)-5-[3-[2-[[3-[[(5S)-6-[2-(2-aminooxyethoxy)ethylamino]-5-[3-[2-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-6-oxohexyl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;methane;pentakis(2,2,2-trifluoroacetic acid) (PubChem CID 159778452) has the molecular formula C167H257F15N24O39S2 and a molecular weight of 3574.13 g/mol. Its IUPAC name is [4-[[(2R,5S)-5-[3-[2-[[3-[[(5S)-6-[2-(2-aminooxyethoxy)ethylamino]-5-[3-[2-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-6-oxohexyl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;methane;pentakis(2,2,2-trifluoroacetic acid).

Molecular Properties

• Compound Name: [4-[[(2R,5S)-5-[3-[2-[[3-[[(5S)-6-[2-(2-aminooxyethoxy)ethylamino]-5-[3-[2-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-6-oxohexyl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;methane;pentakis(2,2,2-trifluoroacetic acid)
• PubChem CID: 159778452
• Molecular Formula: C167H257F15N24O39S2
• Molecular Weight: 3574.13 g/mol
• Exact Mass: 3571.81
• IUPAC Name: [4-[[(2R,5S)-5-[3-[2-[[3-[[(5S)-6-[2-(2-aminooxyethoxy)ethylamino]-5-[3-[2-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-6-oxohexyl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;methane;pentakis(2,2,2-trifluoroacetic acid)
• SMILES: C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCN(C)CCN(C)CCC(=O)NCCCC[C@H](NC(=O)CCN(C)CCN(C)CCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(COC(=O)N(C)[C@H](C(=O)C[C@H](C(=O)N(C)[C@@H]([C@@H](C)CC)[C@@H](CC(=O)N3CCC[C@H]3[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc3ccccc3)c3nccs3)OC)C(C)C)C(C)C)cc2)C(C)C)C(=O)NCCOCCON)C(C)C)cc1)C(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C156H248N24O29S2.5C2HF3O2.CH4/c1-31-105(15)142(130(202-27)95-136(191)179-72-43-52-122(179)144(204-29)107(17)124(181)91-115(149-162-70-85-210-149)87-109-45-35-33-36-46-109)175(23)151(196)119(99(3)4)93-128(185)140(103(11)12)177(25)155(200)207-97-111-54-58-117(59-55-111)166-146(193)113(49-41-67-164-153(157)198)89-126(183)138(101(7)8)169-134(189)64-76-173(21)79-78-171(19)74-62-132(187)160-66-40-39-51-121(148(195)161-69-82-206-83-84-209-159)168-133(188)63-75-172(20)80-81-174(22)77-65-135(190)170-139(102(9)10)127(184)90-114(50-42-68-165-154(158)199)147(194)167-118-60-56-112(57-61-118)98-208-156(201)178(26)141(104(13)14)129(186)94-120(100(5)6)152(197)176(24)143(106(16)32-2)131(203-28)96-137(192)180-73-44-53-123(180)145(205-30)108(18)125(182)92-116(150-163-71-86-211-150)88-110-47-37-34-38-48-110;5*3-2(4,5)1(6)7;/h33-38,45-48,54-61,70-71,85-86,99-108,113-116,119-123,130-131,138-145H,31-32,39-44,49-53,62-69,72-84,87-98,159H2,1-30H3,(H,160,187)(H,161,195)(H,166,193)(H,167,194)(H,168,188)(H,169,189)(H,170,190)(H3,157,164,198)(H3,158,165,199);5*(H,6,7);1H4/t105-,106-,107-,108-,113+,114+,115+,116+,119-,120-,121-,122-,123-,130+,131+,138-,139-,140-,141-,142-,143-,144+,145+;;;;;;/m0....../s1
• InChIKey: OVGXHOVGSPJBFW-IGYDWQTKSA-N
• XLogP: 19.85
• TPSA: 863.32 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 43
• Rotatable Bonds: 103
• Heavy Atoms: 247
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3574.13
LogP ≤ 5	19.85
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of [4-[[(2R,5S)-5-[3-[2-[[3-[[(5S)-6-[2-(2-aminooxyethoxy)ethylamino]-5-[3-[2-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-6-oxohexyl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;methane;pentakis(2,2,2-trifluoroacetic acid)?

The IUPAC name of [4-[[(2R,5S)-5-[3-[2-[[3-[[(5S)-6-[2-(2-aminooxyethoxy)ethylamino]-5-[3-[2-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-6-oxohexyl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;methane;pentakis(2,2,2-trifluoroacetic acid) (CID 159778452) is [4-[[(2R,5S)-5-[3-[2-[[3-[[(5S)-6-[2-(2-aminooxyethoxy)ethylamino]-5-[3-[2-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-6-oxohexyl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;methane;pentakis(2,2,2-trifluoroacetic acid).

What is the SMILES notation for [4-[[(2R,5S)-5-[3-[2-[[3-[[(5S)-6-[2-(2-aminooxyethoxy)ethylamino]-5-[3-[2-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-6-oxohexyl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;methane;pentakis(2,2,2-trifluoroacetic acid)?

The canonical SMILES for [4-[[(2R,5S)-5-[3-[2-[[3-[[(5S)-6-[2-(2-aminooxyethoxy)ethylamino]-5-[3-[2-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-6-oxohexyl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;methane;pentakis(2,2,2-trifluoroacetic acid) is C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCN(C)CCN(C)CCC(=O)NCCCC[C@H](NC(=O)CCN(C)CCN(C)CCC(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(COC(=O)N(C)[C@H](C(=O)C[C@H](C(=O)N(C)[C@@H]([C@@H](C)CC)[C@@H](CC(=O)N3CCC[C@H]3[C@H](OC)[C@@H](C)C(=O)C[C@@H](Cc3ccccc3)c3nccs3)OC)C(C)C)C(C)C)cc2)C(C)C)C(=O)NCCOCCON)C(C)C)cc1)C(C)C.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

What is the InChIKey of [4-[[(2R,5S)-5-[3-[2-[[3-[[(5S)-6-[2-(2-aminooxyethoxy)ethylamino]-5-[3-[2-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-6-oxohexyl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;methane;pentakis(2,2,2-trifluoroacetic acid)?

The InChIKey is OVGXHOVGSPJBFW-IGYDWQTKSA-N. The full InChI is InChI=1S/C156H248N24O29S2.5C2HF3O2.CH4/c1-31-105(15)142(130(202-27)95-136(191)179-72-43-52-122(179)144(204-29)107(17)124(181)91-115(149-162-70-85-210-149)87-109-45-35-33-36-46-109)175(23)151(196)119(99(3)4)93-128(185)140(103(11)12)177(25)155(200)207-97-111-54-58-117(59-55-111)166-146(193)113(49-41-67-164-153(157)198)89-126(183)138(101(7)8)169-134(189)64-76-173(21)79-78-171(19)74-62-132(187)160-66-40-39-51-121(148(195)161-69-82-206-83-84-209-159)168-133(188)63-75-172(20)80-81-174(22)77-65-135(190)170-139(102(9)10)127(184)90-114(50-42-68-165-154(158)199)147(194)167-118-60-56-112(57-61-118)98-208-156(201)178(26)141(104(13)14)129(186)94-120(100(5)6)152(197)176(24)143(106(16)32-2)131(203-28)96-137(192)180-73-44-53-123(180)145(205-30)108(18)125(182)92-116(150-163-71-86-211-150)88-110-47-37-34-38-48-110;5*3-2(4,5)1(6)7;/h33-38,45-48,54-61,70-71,85-86,99-108,113-116,119-123,130-131,138-145H,31-32,39-44,49-53,62-69,72-84,87-98,159H2,1-30H3,(H,160,187)(H,161,195)(H,166,193)(H,167,194)(H,168,188)(H,169,189)(H,170,190)(H3,157,164,198)(H3,158,165,199);5*(H,6,7);1H4/t105-,106-,107-,108-,113+,114+,115+,116+,119-,120-,121-,122-,123-,130+,131+,138-,139-,140-,141-,142-,143-,144+,145+;;;;;;/m0....../s1.

What are the key properties of [4-[[(2R,5S)-5-[3-[2-[[3-[[(5S)-6-[2-(2-aminooxyethoxy)ethylamino]-5-[3-[2-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-6-oxohexyl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;methane;pentakis(2,2,2-trifluoroacetic acid)?

[4-[[(2R,5S)-5-[3-[2-[[3-[[(5S)-6-[2-(2-aminooxyethoxy)ethylamino]-5-[3-[2-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-6-oxohexyl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;methane;pentakis(2,2,2-trifluoroacetic acid) has a molecular weight of 3574.13 g/mol, XLogP of 19.85, 103 rotatable bonds, 17 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[(2R,5S)-5-[3-[2-[[3-[[(5S)-6-[2-(2-aminooxyethoxy)ethylamino]-5-[3-[2-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-6-oxohexyl]amino]-3-oxopropyl]-methylamino]ethyl-methylamino]propanoylamino]-2-[3-(carbamoylamino)propyl]-6-methyl-4-oxoheptanoyl]amino]phenyl]methyl N-[(3S,6S)-6-[[(3R,4S,5S)-3-methoxy-1-[(2S)-2-[(1R,2R,5R)-1-methoxy-2-methyl-3-oxo-6-phenyl-5-(1,3-thiazol-2-yl)hexyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-N-methylcarbamate;methane;pentakis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 159778452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).