3-[2-[2-[2-[2-[2-[2-[2-[2-[[6-[2-[2-[2-[3-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-10-methyl-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5S,6R)-9-(carbamoylamino)-6-[1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]ethenyl]-3-oxo-5-propan-2-ylnonoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]-2-pyridinyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

C188H261N33O43S2 — CID 176880391

About 3-[2-[2-[2-[2-[2-[2-[2-[2-[[6-[2-[2-[2-[3-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-10-methyl-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5S,6R)-9-(carbamoylamino)-6-[1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]ethenyl]-3-oxo-5-propan-2-ylnonoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]-2-pyridinyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid

3-[2-[2-[2-[2-[2-[2-[2-[2-[[6-[2-[2-[2-[3-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-10-methyl-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5S,6R)-9-(carbamoylamino)-6-[1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]ethenyl]-3-oxo-5-propan-2-ylnonoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]-2-pyridinyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (PubChem CID 176880391) has the molecular formula C188H261N33O43S2 and a molecular weight of 3735.48 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[2-[2-[[6-[2-[2-[2-[3-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-10-methyl-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5S,6R)-9-(carbamoylamino)-6-[1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]ethenyl]-3-oxo-5-propan-2-ylnonoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]-2-pyridinyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

Molecular Properties

• Compound Name: 3-[2-[2-[2-[2-[2-[2-[2-[2-[[6-[2-[2-[2-[3-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-10-methyl-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5S,6R)-9-(carbamoylamino)-6-[1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]ethenyl]-3-oxo-5-propan-2-ylnonoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]-2-pyridinyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• PubChem CID: 176880391
• Molecular Formula: C188H261N33O43S2
• Molecular Weight: 3735.48 g/mol
• Exact Mass: 3732.87
• IUPAC Name: 3-[2-[2-[2-[2-[2-[2-[2-[2-[[6-[2-[2-[2-[3-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-10-methyl-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5S,6R)-9-(carbamoylamino)-6-[1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]ethenyl]-3-oxo-5-propan-2-ylnonoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]-2-pyridinyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
• SMILES: C=C(Nc1ccc(COC(=O)N2C[C@H]3CN(CC4CCN(CCOc5cc([C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)c6ccc(-c7scnc7C)cc6)C(C)C)on5)CC4)CCN3c3cc(-c4ccccc4O)nnc32)cc1)[C@H](CCCNC(N)=O)[C@@H](CC(=O)CCOCCOCCOCCN(CCOCCOCCOCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)N2C[C@@]3(C)CN(CC4CCN(CCOc5cc([C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)c6ccc(-c7scnc7C)cc6)C(C)C)on5)CC4)CCN3c3cc(-c4ccccc4O)nnc32)cc1)C(C)C)c1cc(OCCOCCNC(=O)CN2C(=O)C=CC2=O)cc(NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)n1)C(C)C
• InChI: InChI=1S/C188H261N33O43S2/c1-123(2)150(147(23-19-52-193-184(189)239)129(11)197-140-39-27-134(28-40-140)117-261-186(241)219-113-142-112-212(60-62-215(142)154-106-152(204-206-176(154)219)148-21-15-17-25-158(148)225)110-132-45-56-210(57-46-132)64-75-259-166-108-160(263-208-166)171(124(3)4)182(237)216-114-144(223)102-156(216)179(234)198-127(9)136-31-35-138(36-32-136)174-130(12)195-121-265-174)101-143(222)49-68-243-77-83-250-87-81-248-73-66-214(163-105-146(258-100-99-247-72-55-192-165(228)116-218-168(229)43-44-169(218)230)104-162(202-163)191-54-71-246-80-86-253-90-92-255-94-96-257-98-97-256-95-93-254-91-89-252-85-79-245-70-51-170(231)232)67-74-249-82-88-251-84-78-244-69-50-164(227)203-173(126(7)8)181(236)201-151(24-20-53-194-185(190)240)178(233)200-141-41-29-135(30-42-141)118-262-187(242)220-120-188(14)119-213(61-63-221(188)155-107-153(205-207-177(155)220)149-22-16-18-26-159(149)226)111-133-47-58-211(59-48-133)65-76-260-167-109-161(264-209-167)172(125(5)6)183(238)217-115-145(224)103-157(217)180(235)199-128(10)137-33-37-139(38-34-137)175-131(13)196-122-266-175/h15-18,21-22,25-44,104-109,121-128,132-133,142,144-145,147,150-151,156-157,171-173,197,223-226H,11,19-20,23-24,45-103,110-120H2,1-10,12-14H3,(H,191,202)(H,192,228)(H,198,234)(H,199,235)(H,200,233)(H,201,236)(H,203,227)(H,231,232)(H3,189,193,239)(H3,190,194,240)/t127-,128-,142+,144+,145+,147-,150-,151-,156-,157-,171+,172+,173-,188+/m0/s1
• InChIKey: GQPBECVMJNXZII-BGGJJTBFSA-N
• XLogP: 15.45
• TPSA: 912.38 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 62
• Rotatable Bonds: 115
• Heavy Atoms: 266
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3735.48
LogP ≤ 5	15.45
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	62

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[[6-[2-[2-[2-[3-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-10-methyl-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5S,6R)-9-(carbamoylamino)-6-[1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]ethenyl]-3-oxo-5-propan-2-ylnonoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]-2-pyridinyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[[6-[2-[2-[2-[3-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-10-methyl-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5S,6R)-9-(carbamoylamino)-6-[1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]ethenyl]-3-oxo-5-propan-2-ylnonoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]-2-pyridinyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid (CID 176880391) is 3-[2-[2-[2-[2-[2-[2-[2-[2-[[6-[2-[2-[2-[3-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-10-methyl-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5S,6R)-9-(carbamoylamino)-6-[1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]ethenyl]-3-oxo-5-propan-2-ylnonoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]-2-pyridinyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid.

What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-[2-[2-[[6-[2-[2-[2-[3-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-10-methyl-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5S,6R)-9-(carbamoylamino)-6-[1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]ethenyl]-3-oxo-5-propan-2-ylnonoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]-2-pyridinyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[2-[2-[[6-[2-[2-[2-[3-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-10-methyl-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5S,6R)-9-(carbamoylamino)-6-[1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]ethenyl]-3-oxo-5-propan-2-ylnonoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]-2-pyridinyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is C=C(Nc1ccc(COC(=O)N2C[C@H]3CN(CC4CCN(CCOc5cc([C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)c6ccc(-c7scnc7C)cc6)C(C)C)on5)CC4)CCN3c3cc(-c4ccccc4O)nnc32)cc1)[C@H](CCCNC(N)=O)[C@@H](CC(=O)CCOCCOCCOCCN(CCOCCOCCOCCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)N2C[C@@]3(C)CN(CC4CCN(CCOc5cc([C@H](C(=O)N6C[C@H](O)C[C@H]6C(=O)N[C@@H](C)c6ccc(-c7scnc7C)cc6)C(C)C)on5)CC4)CCN3c3cc(-c4ccccc4O)nnc32)cc1)C(C)C)c1cc(OCCOCCNC(=O)CN2C(=O)C=CC2=O)cc(NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)n1)C(C)C.

What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-[2-[2-[[6-[2-[2-[2-[3-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-10-methyl-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5S,6R)-9-(carbamoylamino)-6-[1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]ethenyl]-3-oxo-5-propan-2-ylnonoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]-2-pyridinyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

The InChIKey is GQPBECVMJNXZII-BGGJJTBFSA-N. The full InChI is InChI=1S/C188H261N33O43S2/c1-123(2)150(147(23-19-52-193-184(189)239)129(11)197-140-39-27-134(28-40-140)117-261-186(241)219-113-142-112-212(60-62-215(142)154-106-152(204-206-176(154)219)148-21-15-17-25-158(148)225)110-132-45-56-210(57-46-132)64-75-259-166-108-160(263-208-166)171(124(3)4)182(237)216-114-144(223)102-156(216)179(234)198-127(9)136-31-35-138(36-32-136)174-130(12)195-121-265-174)101-143(222)49-68-243-77-83-250-87-81-248-73-66-214(163-105-146(258-100-99-247-72-55-192-165(228)116-218-168(229)43-44-169(218)230)104-162(202-163)191-54-71-246-80-86-253-90-92-255-94-96-257-98-97-256-95-93-254-91-89-252-85-79-245-70-51-170(231)232)67-74-249-82-88-251-84-78-244-69-50-164(227)203-173(126(7)8)181(236)201-151(24-20-53-194-185(190)240)178(233)200-141-41-29-135(30-42-141)118-262-187(242)220-120-188(14)119-213(61-63-221(188)155-107-153(205-207-177(155)220)149-22-16-18-26-159(149)226)111-133-47-58-211(59-48-133)65-76-260-167-109-161(264-209-167)172(125(5)6)183(238)217-115-145(224)103-157(217)180(235)199-128(10)137-33-37-139(38-34-137)175-131(13)196-122-266-175/h15-18,21-22,25-44,104-109,121-128,132-133,142,144-145,147,150-151,156-157,171-173,197,223-226H,11,19-20,23-24,45-103,110-120H2,1-10,12-14H3,(H,191,202)(H,192,228)(H,198,234)(H,199,235)(H,200,233)(H,201,236)(H,203,227)(H,231,232)(H3,189,193,239)(H3,190,194,240)/t127-,128-,142+,144+,145+,147-,150-,151-,156-,157-,171+,172+,173-,188+/m0/s1.

What are the key properties of 3-[2-[2-[2-[2-[2-[2-[2-[2-[[6-[2-[2-[2-[3-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-10-methyl-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5S,6R)-9-(carbamoylamino)-6-[1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]ethenyl]-3-oxo-5-propan-2-ylnonoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]-2-pyridinyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid?

3-[2-[2-[2-[2-[2-[2-[2-[2-[[6-[2-[2-[2-[3-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-10-methyl-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5S,6R)-9-(carbamoylamino)-6-[1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]ethenyl]-3-oxo-5-propan-2-ylnonoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]-2-pyridinyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid has a molecular weight of 3735.48 g/mol, XLogP of 15.45, 115 rotatable bonds, 17 hydrogen bond donors, and 62 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[2-[2-[2-[2-[2-[2-[2-[[6-[2-[2-[2-[3-[[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-10-methyl-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5S,6R)-9-(carbamoylamino)-6-[1-[4-[[(10R)-12-[[1-[2-[[5-[(2R)-1-[(2S,4R)-4-hydroxy-2-[[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-yl]oxy]ethyl]piperidin-4-yl]methyl]-4-(2-hydroxyphenyl)-1,5,6,8,12-pentazatricyclo[8.4.0.02,7]tetradeca-2,4,6-triene-8-carbonyl]oxymethyl]anilino]ethenyl]-3-oxo-5-propan-2-ylnonoxy]ethoxy]ethoxy]ethyl]amino]-4-[2-[2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]ethoxy]ethoxy]-2-pyridinyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 176880391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).