(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-hydroxy-3-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanoylamino]phenyl]-2-methylpentanoic acid;2-[(1S,57R,60S,64R,66S,69S,77S)-77-[(2S)-butan-2-yl]-69-[(3R)-3,4-dihydroxybutan-2-yl]-64-hydroxy-9,12,44,47-tetramethyl-8,11,14,21,24,32,35,42,45,48,55,58,61,67,70,72,75,78,81,83,84-henicosaoxo-17,39,49-trioxa-27,29,55λ4-trithia-7,10,13,20,23,33,36,43,46,53,59,62,68,71,73,76,79,82-octadecazanonacyclo[55.14.11.123,26.130,33.03,54.04,52.06,50.022,34.062,66]tetraoctaconta-3(54),4,6(50),51-tetraen-60-yl]acetic acid

C121H169N25O40S5 — CID 163791385

About (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-hydroxy-3-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanoylamino]phenyl]-2-methylpentanoic acid;2-[(1S,57R,60S,64R,66S,69S,77S)-77-[(2S)-butan-2-yl]-69-[(3R)-3,4-dihydroxybutan-2-yl]-64-hydroxy-9,12,44,47-tetramethyl-8,11,14,21,24,32,35,42,45,48,55,58,61,67,70,72,75,78,81,83,84-henicosaoxo-17,39,49-trioxa-27,29,55λ4-trithia-7,10,13,20,23,33,36,43,46,53,59,62,68,71,73,76,79,82-octadecazanonacyclo[55.14.11.123,26.130,33.03,54.04,52.06,50.022,34.062,66]tetraoctaconta-3(54),4,6(50),51-tetraen-60-yl]acetic acid

(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-hydroxy-3-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanoylamino]phenyl]-2-methylpentanoic acid;2-[(1S,57R,60S,64R,66S,69S,77S)-77-[(2S)-butan-2-yl]-69-[(3R)-3,4-dihydroxybutan-2-yl]-64-hydroxy-9,12,44,47-tetramethyl-8,11,14,21,24,32,35,42,45,48,55,58,61,67,70,72,75,78,81,83,84-henicosaoxo-17,39,49-trioxa-27,29,55λ4-trithia-7,10,13,20,23,33,36,43,46,53,59,62,68,71,73,76,79,82-octadecazanonacyclo[55.14.11.123,26.130,33.03,54.04,52.06,50.022,34.062,66]tetraoctaconta-3(54),4,6(50),51-tetraen-60-yl]acetic acid (PubChem CID 163791385) has the molecular formula C121H169N25O40S5 and a molecular weight of 2774.15 g/mol. Its IUPAC name is (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-hydroxy-3-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanoylamino]phenyl]-2-methylpentanoic acid;2-[(1S,57R,60S,64R,66S,69S,77S)-77-[(2S)-butan-2-yl]-69-[(3R)-3,4-dihydroxybutan-2-yl]-64-hydroxy-9,12,44,47-tetramethyl-8,11,14,21,24,32,35,42,45,48,55,58,61,67,70,72,75,78,81,83,84-henicosaoxo-17,39,49-trioxa-27,29,55λ4-trithia-7,10,13,20,23,33,36,43,46,53,59,62,68,71,73,76,79,82-octadecazanonacyclo[55.14.11.123,26.130,33.03,54.04,52.06,50.022,34.062,66]tetraoctaconta-3(54),4,6(50),51-tetraen-60-yl]acetic acid.

Molecular Properties

• Compound Name: (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-hydroxy-3-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanoylamino]phenyl]-2-methylpentanoic acid;2-[(1S,57R,60S,64R,66S,69S,77S)-77-[(2S)-butan-2-yl]-69-[(3R)-3,4-dihydroxybutan-2-yl]-64-hydroxy-9,12,44,47-tetramethyl-8,11,14,21,24,32,35,42,45,48,55,58,61,67,70,72,75,78,81,83,84-henicosaoxo-17,39,49-trioxa-27,29,55λ4-trithia-7,10,13,20,23,33,36,43,46,53,59,62,68,71,73,76,79,82-octadecazanonacyclo[55.14.11.123,26.130,33.03,54.04,52.06,50.022,34.062,66]tetraoctaconta-3(54),4,6(50),51-tetraen-60-yl]acetic acid
• PubChem CID: 163791385
• Molecular Formula: C121H169N25O40S5
• Molecular Weight: 2774.15 g/mol
• Exact Mass: 2772.06
• IUPAC Name: (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-hydroxy-3-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanoylamino]phenyl]-2-methylpentanoic acid;2-[(1S,57R,60S,64R,66S,69S,77S)-77-[(2S)-butan-2-yl]-69-[(3R)-3,4-dihydroxybutan-2-yl]-64-hydroxy-9,12,44,47-tetramethyl-8,11,14,21,24,32,35,42,45,48,55,58,61,67,70,72,75,78,81,83,84-henicosaoxo-17,39,49-trioxa-27,29,55λ4-trithia-7,10,13,20,23,33,36,43,46,53,59,62,68,71,73,76,79,82-octadecazanonacyclo[55.14.11.123,26.130,33.03,54.04,52.06,50.022,34.062,66]tetraoctaconta-3(54),4,6(50),51-tetraen-60-yl]acetic acid
• SMILES: CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c([nH]c4cc5c(cc34)NC(=O)C(C)NC(=O)C(C)NC(=O)CCOCCNC(=O)C3C(C(=O)NCCOCCC(=O)NC(C)C(=O)NC(C)C(=O)O5)N4C(=O)CC(SCSC5CC(=O)N3C5=O)C4=O)S(=O)C[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C(C)[C@@H](O)CO)C(=O)N2.CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(O)c(NC(=O)CCCN3C(=O)CC(SC)C3=O)c2)CC(C)C(=O)O)cs1)C(C)C
• InChI: InChI=1S/C74H100N18O29S3.C47H69N7O11S2/c1-8-30(2)56-66(110)78-24-51(98)83-43-28-124(118)70-38(19-41(63(107)77-25-52(99)88-56)85-67(111)57(31(3)45(95)27-93)89-65(109)44-17-36(94)26-90(44)71(114)42(21-55(102)103)86-64(43)108)37-18-40-46(20-39(37)87-70)121-74(117)35(7)82-61(105)33(5)80-50(97)10-14-120-16-12-76-69(113)59-58(91-53(100)22-47(72(91)115)122-29-123-48-23-54(101)92(59)73(48)116)68(112)75-11-15-119-13-9-49(96)79-32(4)60(104)81-34(6)62(106)84-40;1-10-27(4)41(51-43(60)34-14-11-12-18-52(34)7)46(62)53(8)35(26(2)3)23-37(65-29(6)55)44-50-33(25-67-44)42(59)48-31(20-28(5)47(63)64)21-30-16-17-36(56)32(22-30)49-39(57)15-13-19-54-40(58)24-38(66-9)45(54)61/h18,20,30-36,41-45,47-48,56-59,87,93-95H,8-17,19,21-29H2,1-7H3,(H,75,112)(H,76,113)(H,77,107)(H,78,110)(H,79,96)(H,80,97)(H,81,104)(H,82,105)(H,83,98)(H,84,106)(H,85,111)(H,86,108)(H,88,99)(H,89,109)(H,102,103);16-17,22,25-28,31,34-35,37-38,41,56H,10-15,18-21,23-24H2,1-9H3,(H,48,59)(H,49,57)(H,51,60)(H,63,64)/t30-,31?,32?,33?,34?,35?,36+,41-,42-,43-,44-,45-,47?,48?,56-,57-,58?,59?,124?;27-,28?,31+,34+,35+,37+,38?,41-/m00/s1
• InChIKey: MXBXRUHYJDFMNJ-MLPRGKAZSA-N
• XLogP: -4.67
• TPSA: 923.03 Ų
• H-Bond Donors: 24
• H-Bond Acceptors: 44
• Rotatable Bonds: 31
• Heavy Atoms: 191
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2774.15
LogP ≤ 5	-4.67
H-Bond Donors ≤ 5	24
H-Bond Acceptors ≤ 10	44

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-hydroxy-3-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanoylamino]phenyl]-2-methylpentanoic acid;2-[(1S,57R,60S,64R,66S,69S,77S)-77-[(2S)-butan-2-yl]-69-[(3R)-3,4-dihydroxybutan-2-yl]-64-hydroxy-9,12,44,47-tetramethyl-8,11,14,21,24,32,35,42,45,48,55,58,61,67,70,72,75,78,81,83,84-henicosaoxo-17,39,49-trioxa-27,29,55λ4-trithia-7,10,13,20,23,33,36,43,46,53,59,62,68,71,73,76,79,82-octadecazanonacyclo[55.14.11.123,26.130,33.03,54.04,52.06,50.022,34.062,66]tetraoctaconta-3(54),4,6(50),51-tetraen-60-yl]acetic acid?

The IUPAC name of (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-hydroxy-3-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanoylamino]phenyl]-2-methylpentanoic acid;2-[(1S,57R,60S,64R,66S,69S,77S)-77-[(2S)-butan-2-yl]-69-[(3R)-3,4-dihydroxybutan-2-yl]-64-hydroxy-9,12,44,47-tetramethyl-8,11,14,21,24,32,35,42,45,48,55,58,61,67,70,72,75,78,81,83,84-henicosaoxo-17,39,49-trioxa-27,29,55λ4-trithia-7,10,13,20,23,33,36,43,46,53,59,62,68,71,73,76,79,82-octadecazanonacyclo[55.14.11.123,26.130,33.03,54.04,52.06,50.022,34.062,66]tetraoctaconta-3(54),4,6(50),51-tetraen-60-yl]acetic acid (CID 163791385) is (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-hydroxy-3-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanoylamino]phenyl]-2-methylpentanoic acid;2-[(1S,57R,60S,64R,66S,69S,77S)-77-[(2S)-butan-2-yl]-69-[(3R)-3,4-dihydroxybutan-2-yl]-64-hydroxy-9,12,44,47-tetramethyl-8,11,14,21,24,32,35,42,45,48,55,58,61,67,70,72,75,78,81,83,84-henicosaoxo-17,39,49-trioxa-27,29,55λ4-trithia-7,10,13,20,23,33,36,43,46,53,59,62,68,71,73,76,79,82-octadecazanonacyclo[55.14.11.123,26.130,33.03,54.04,52.06,50.022,34.062,66]tetraoctaconta-3(54),4,6(50),51-tetraen-60-yl]acetic acid.

What is the SMILES notation for (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-hydroxy-3-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanoylamino]phenyl]-2-methylpentanoic acid;2-[(1S,57R,60S,64R,66S,69S,77S)-77-[(2S)-butan-2-yl]-69-[(3R)-3,4-dihydroxybutan-2-yl]-64-hydroxy-9,12,44,47-tetramethyl-8,11,14,21,24,32,35,42,45,48,55,58,61,67,70,72,75,78,81,83,84-henicosaoxo-17,39,49-trioxa-27,29,55λ4-trithia-7,10,13,20,23,33,36,43,46,53,59,62,68,71,73,76,79,82-octadecazanonacyclo[55.14.11.123,26.130,33.03,54.04,52.06,50.022,34.062,66]tetraoctaconta-3(54),4,6(50),51-tetraen-60-yl]acetic acid?

The canonical SMILES for (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-hydroxy-3-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanoylamino]phenyl]-2-methylpentanoic acid;2-[(1S,57R,60S,64R,66S,69S,77S)-77-[(2S)-butan-2-yl]-69-[(3R)-3,4-dihydroxybutan-2-yl]-64-hydroxy-9,12,44,47-tetramethyl-8,11,14,21,24,32,35,42,45,48,55,58,61,67,70,72,75,78,81,83,84-henicosaoxo-17,39,49-trioxa-27,29,55λ4-trithia-7,10,13,20,23,33,36,43,46,53,59,62,68,71,73,76,79,82-octadecazanonacyclo[55.14.11.123,26.130,33.03,54.04,52.06,50.022,34.062,66]tetraoctaconta-3(54),4,6(50),51-tetraen-60-yl]acetic acid is CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c([nH]c4cc5c(cc34)NC(=O)C(C)NC(=O)C(C)NC(=O)CCOCCNC(=O)C3C(C(=O)NCCOCCC(=O)NC(C)C(=O)NC(C)C(=O)O5)N4C(=O)CC(SCSC5CC(=O)N3C5=O)C4=O)S(=O)C[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C(C)[C@@H](O)CO)C(=O)N2.CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1C)C(=O)N(C)[C@H](C[C@@H](OC(C)=O)c1nc(C(=O)N[C@@H](Cc2ccc(O)c(NC(=O)CCCN3C(=O)CC(SC)C3=O)c2)CC(C)C(=O)O)cs1)C(C)C.

What is the InChIKey of (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-hydroxy-3-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanoylamino]phenyl]-2-methylpentanoic acid;2-[(1S,57R,60S,64R,66S,69S,77S)-77-[(2S)-butan-2-yl]-69-[(3R)-3,4-dihydroxybutan-2-yl]-64-hydroxy-9,12,44,47-tetramethyl-8,11,14,21,24,32,35,42,45,48,55,58,61,67,70,72,75,78,81,83,84-henicosaoxo-17,39,49-trioxa-27,29,55λ4-trithia-7,10,13,20,23,33,36,43,46,53,59,62,68,71,73,76,79,82-octadecazanonacyclo[55.14.11.123,26.130,33.03,54.04,52.06,50.022,34.062,66]tetraoctaconta-3(54),4,6(50),51-tetraen-60-yl]acetic acid?

The InChIKey is MXBXRUHYJDFMNJ-MLPRGKAZSA-N. The full InChI is InChI=1S/C74H100N18O29S3.C47H69N7O11S2/c1-8-30(2)56-66(110)78-24-51(98)83-43-28-124(118)70-38(19-41(63(107)77-25-52(99)88-56)85-67(111)57(31(3)45(95)27-93)89-65(109)44-17-36(94)26-90(44)71(114)42(21-55(102)103)86-64(43)108)37-18-40-46(20-39(37)87-70)121-74(117)35(7)82-61(105)33(5)80-50(97)10-14-120-16-12-76-69(113)59-58(91-53(100)22-47(72(91)115)122-29-123-48-23-54(101)92(59)73(48)116)68(112)75-11-15-119-13-9-49(96)79-32(4)60(104)81-34(6)62(106)84-40;1-10-27(4)41(51-43(60)34-14-11-12-18-52(34)7)46(62)53(8)35(26(2)3)23-37(65-29(6)55)44-50-33(25-67-44)42(59)48-31(20-28(5)47(63)64)21-30-16-17-36(56)32(22-30)49-39(57)15-13-19-54-40(58)24-38(66-9)45(54)61/h18,20,30-36,41-45,47-48,56-59,87,93-95H,8-17,19,21-29H2,1-7H3,(H,75,112)(H,76,113)(H,77,107)(H,78,110)(H,79,96)(H,80,97)(H,81,104)(H,82,105)(H,83,98)(H,84,106)(H,85,111)(H,86,108)(H,88,99)(H,89,109)(H,102,103);16-17,22,25-28,31,34-35,37-38,41,56H,10-15,18-21,23-24H2,1-9H3,(H,48,59)(H,49,57)(H,51,60)(H,63,64)/t30-,31?,32?,33?,34?,35?,36+,41-,42-,43-,44-,45-,47?,48?,56-,57-,58?,59?,124?;27-,28?,31+,34+,35+,37+,38?,41-/m00/s1.

What are the key properties of (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-hydroxy-3-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanoylamino]phenyl]-2-methylpentanoic acid;2-[(1S,57R,60S,64R,66S,69S,77S)-77-[(2S)-butan-2-yl]-69-[(3R)-3,4-dihydroxybutan-2-yl]-64-hydroxy-9,12,44,47-tetramethyl-8,11,14,21,24,32,35,42,45,48,55,58,61,67,70,72,75,78,81,83,84-henicosaoxo-17,39,49-trioxa-27,29,55λ4-trithia-7,10,13,20,23,33,36,43,46,53,59,62,68,71,73,76,79,82-octadecazanonacyclo[55.14.11.123,26.130,33.03,54.04,52.06,50.022,34.062,66]tetraoctaconta-3(54),4,6(50),51-tetraen-60-yl]acetic acid?

(4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-hydroxy-3-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanoylamino]phenyl]-2-methylpentanoic acid;2-[(1S,57R,60S,64R,66S,69S,77S)-77-[(2S)-butan-2-yl]-69-[(3R)-3,4-dihydroxybutan-2-yl]-64-hydroxy-9,12,44,47-tetramethyl-8,11,14,21,24,32,35,42,45,48,55,58,61,67,70,72,75,78,81,83,84-henicosaoxo-17,39,49-trioxa-27,29,55λ4-trithia-7,10,13,20,23,33,36,43,46,53,59,62,68,71,73,76,79,82-octadecazanonacyclo[55.14.11.123,26.130,33.03,54.04,52.06,50.022,34.062,66]tetraoctaconta-3(54),4,6(50),51-tetraen-60-yl]acetic acid has a molecular weight of 2774.15 g/mol, XLogP of -4.67, 31 rotatable bonds, 24 hydrogen bond donors, and 44 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[[2-[(1R,3R)-1-acetyloxy-4-methyl-3-[methyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]pentyl]-1,3-thiazole-4-carbonyl]amino]-5-[4-hydroxy-3-[4-(3-methylsulfanyl-2,5-dioxopyrrolidin-1-yl)butanoylamino]phenyl]-2-methylpentanoic acid;2-[(1S,57R,60S,64R,66S,69S,77S)-77-[(2S)-butan-2-yl]-69-[(3R)-3,4-dihydroxybutan-2-yl]-64-hydroxy-9,12,44,47-tetramethyl-8,11,14,21,24,32,35,42,45,48,55,58,61,67,70,72,75,78,81,83,84-henicosaoxo-17,39,49-trioxa-27,29,55λ4-trithia-7,10,13,20,23,33,36,43,46,53,59,62,68,71,73,76,79,82-octadecazanonacyclo[55.14.11.123,26.130,33.03,54.04,52.06,50.022,34.062,66]tetraoctaconta-3(54),4,6(50),51-tetraen-60-yl]acetic acid is sourced from PubChem (CID 163791385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).