[(19S)-19-ethyl-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-19-yl] 2-[[2-[[(1S,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33R,36R,38S,40R,42R,44R,46R,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-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-19-yl]oxy]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,10,15,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-35-yl]methylsulfanylmethyl]-4-oxo-6-(3-oxobutoxy)hexanoyl]amino]acetate

C103H131N7O46S2 — CID 58537055

About [(19S)-19-ethyl-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-19-yl] 2-[[2-[[(1S,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33R,36R,38S,40R,42R,44R,46R,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-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-19-yl]oxy]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,10,15,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-35-yl]methylsulfanylmethyl]-4-oxo-6-(3-oxobutoxy)hexanoyl]amino]acetate

[(19S)-19-ethyl-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-19-yl] 2-[[2-[[(1S,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33R,36R,38S,40R,42R,44R,46R,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-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-19-yl]oxy]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,10,15,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-35-yl]methylsulfanylmethyl]-4-oxo-6-(3-oxobutoxy)hexanoyl]amino]acetate (PubChem CID 58537055) has the molecular formula C103H131N7O46S2 and a molecular weight of 2267.32 g/mol. Its IUPAC name is [(19S)-19-ethyl-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-19-yl] 2-[[2-[[(1S,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33R,36R,38S,40R,42R,44R,46R,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-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-19-yl]oxy]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,10,15,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-35-yl]methylsulfanylmethyl]-4-oxo-6-(3-oxobutoxy)hexanoyl]amino]acetate.

Molecular Properties

• Compound Name: [(19S)-19-ethyl-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-19-yl] 2-[[2-[[(1S,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33R,36R,38S,40R,42R,44R,46R,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-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-19-yl]oxy]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,10,15,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-35-yl]methylsulfanylmethyl]-4-oxo-6-(3-oxobutoxy)hexanoyl]amino]acetate
• PubChem CID: 58537055
• Molecular Formula: C103H131N7O46S2
• Molecular Weight: 2267.32 g/mol
• Exact Mass: 2265.76
• IUPAC Name: [(19S)-19-ethyl-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-19-yl] 2-[[2-[[(1S,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33R,36R,38S,40R,42R,44R,46R,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-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-19-yl]oxy]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,10,15,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-35-yl]methylsulfanylmethyl]-4-oxo-6-(3-oxobutoxy)hexanoyl]amino]acetate
• SMILES: CC[C@@]1(OC(=O)CNC(=O)C(CSCC2C[C@H]3C[C@H]4C(CO)O[C@@H](O[C@H]5C(CO)O[C@@H](O[C@H]6C(CSC[C@@H](NC)C(=O)NCC(=O)O[C@]7(CC)C(=O)OCc8c7cc7n(c8=O)Cc8cc9ccccc9nc8-7)O[C@@H](O[C@H]7C(CO)O[C@@H](O[C@H]8C(CO)O[C@@H](O[C@H]9C(CO)O[C@@H](O[C@@H]2[C@H](O)C3O)C(O)[C@H]9O)C(O)[C@H]8O)C(O)[C@H]7O)C(O)[C@H]6O)C(O)[C@H]5O)C(O)[C@H]4O)CC(=O)CCOCCC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
• InChI: InChI=1S/C103H131N7O46S2/c1-5-102(53-24-58-68-45(19-42-11-7-9-13-55(42)107-68)28-109(58)92(136)51(53)35-141-100(102)138)155-66(118)26-105-90(134)48(22-49(117)16-18-140-17-15-41(3)116)38-157-37-47-21-44-23-50-60(30-111)143-94(78(128)71(50)121)150-85-62(32-113)147-98(82(132)76(85)126)154-89-65(40-158-39-57(104-4)91(135)106-27-67(119)156-103(6-2)54-25-59-69-46(20-43-12-8-10-14-56(43)108-69)29-110(59)93(137)52(54)36-142-101(103)139)148-99(83(133)77(89)127)153-88-64(34-115)146-97(81(131)75(88)125)152-87-63(33-114)145-96(80(130)74(87)124)151-86-61(31-112)144-95(79(129)73(86)123)149-84(47)72(122)70(44)120/h7-14,19-20,24-25,44,47-48,50,57,60-65,70-89,94-99,104,111-115,120-133H,5-6,15-18,21-23,26-40H2,1-4H3,(H,105,134)(H,106,135)/t44-,47?,48?,50-,57+,60?,61?,62?,63?,64?,65?,70?,71-,72+,73+,74+,75+,76+,77+,78?,79?,80?,81?,82?,83?,84-,85-,86-,87-,88-,89-,94-,95-,96-,97-,98-,99-,102-,103-/m0/s1
• InChIKey: QCOZXSSXLFQWLJ-OABYGAGTSA-N
• XLogP: -8.15
• TPSA: 783.71 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 53
• Rotatable Bonds: 32
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2267.32
LogP ≤ 5	-8.15
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(19S)-19-ethyl-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-19-yl] 2-[[2-[[(1S,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33R,36R,38S,40R,42R,44R,46R,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-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-19-yl]oxy]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,10,15,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-35-yl]methylsulfanylmethyl]-4-oxo-6-(3-oxobutoxy)hexanoyl]amino]acetate?

The IUPAC name of [(19S)-19-ethyl-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-19-yl] 2-[[2-[[(1S,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33R,36R,38S,40R,42R,44R,46R,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-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-19-yl]oxy]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,10,15,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-35-yl]methylsulfanylmethyl]-4-oxo-6-(3-oxobutoxy)hexanoyl]amino]acetate (CID 58537055) is [(19S)-19-ethyl-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-19-yl] 2-[[2-[[(1S,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33R,36R,38S,40R,42R,44R,46R,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-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-19-yl]oxy]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,10,15,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-35-yl]methylsulfanylmethyl]-4-oxo-6-(3-oxobutoxy)hexanoyl]amino]acetate.

What is the SMILES notation for [(19S)-19-ethyl-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-19-yl] 2-[[2-[[(1S,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33R,36R,38S,40R,42R,44R,46R,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-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-19-yl]oxy]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,10,15,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-35-yl]methylsulfanylmethyl]-4-oxo-6-(3-oxobutoxy)hexanoyl]amino]acetate?

The canonical SMILES for [(19S)-19-ethyl-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-19-yl] 2-[[2-[[(1S,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33R,36R,38S,40R,42R,44R,46R,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-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-19-yl]oxy]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,10,15,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-35-yl]methylsulfanylmethyl]-4-oxo-6-(3-oxobutoxy)hexanoyl]amino]acetate is CC[C@@]1(OC(=O)CNC(=O)C(CSCC2C[C@H]3C[C@H]4C(CO)O[C@@H](O[C@H]5C(CO)O[C@@H](O[C@H]6C(CSC[C@@H](NC)C(=O)NCC(=O)O[C@]7(CC)C(=O)OCc8c7cc7n(c8=O)Cc8cc9ccccc9nc8-7)O[C@@H](O[C@H]7C(CO)O[C@@H](O[C@H]8C(CO)O[C@@H](O[C@H]9C(CO)O[C@@H](O[C@@H]2[C@H](O)C3O)C(O)[C@H]9O)C(O)[C@H]8O)C(O)[C@H]7O)C(O)[C@H]6O)C(O)[C@H]5O)C(O)[C@H]4O)CC(=O)CCOCCC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1.

What is the InChIKey of [(19S)-19-ethyl-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-19-yl] 2-[[2-[[(1S,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33R,36R,38S,40R,42R,44R,46R,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-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-19-yl]oxy]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,10,15,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-35-yl]methylsulfanylmethyl]-4-oxo-6-(3-oxobutoxy)hexanoyl]amino]acetate?

The InChIKey is QCOZXSSXLFQWLJ-OABYGAGTSA-N. The full InChI is InChI=1S/C103H131N7O46S2/c1-5-102(53-24-58-68-45(19-42-11-7-9-13-55(42)107-68)28-109(58)92(136)51(53)35-141-100(102)138)155-66(118)26-105-90(134)48(22-49(117)16-18-140-17-15-41(3)116)38-157-37-47-21-44-23-50-60(30-111)143-94(78(128)71(50)121)150-85-62(32-113)147-98(82(132)76(85)126)154-89-65(40-158-39-57(104-4)91(135)106-27-67(119)156-103(6-2)54-25-59-69-46(20-43-12-8-10-14-56(43)108-69)29-110(59)93(137)52(54)36-142-101(103)139)148-99(83(133)77(89)127)153-88-64(34-115)146-97(81(131)75(88)125)152-87-63(33-114)145-96(80(130)74(87)124)151-86-61(31-112)144-95(79(129)73(86)123)149-84(47)72(122)70(44)120/h7-14,19-20,24-25,44,47-48,50,57,60-65,70-89,94-99,104,111-115,120-133H,5-6,15-18,21-23,26-40H2,1-4H3,(H,105,134)(H,106,135)/t44-,47?,48?,50-,57+,60?,61?,62?,63?,64?,65?,70?,71-,72+,73+,74+,75+,76+,77+,78?,79?,80?,81?,82?,83?,84-,85-,86-,87-,88-,89-,94-,95-,96-,97-,98-,99-,102-,103-/m0/s1.

What are the key properties of [(19S)-19-ethyl-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-19-yl] 2-[[2-[[(1S,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33R,36R,38S,40R,42R,44R,46R,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-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-19-yl]oxy]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,10,15,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-35-yl]methylsulfanylmethyl]-4-oxo-6-(3-oxobutoxy)hexanoyl]amino]acetate?

[(19S)-19-ethyl-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-19-yl] 2-[[2-[[(1S,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33R,36R,38S,40R,42R,44R,46R,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-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-19-yl]oxy]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,10,15,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-35-yl]methylsulfanylmethyl]-4-oxo-6-(3-oxobutoxy)hexanoyl]amino]acetate has a molecular weight of 2267.32 g/mol, XLogP of -8.15, 32 rotatable bonds, 22 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for [(19S)-19-ethyl-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-19-yl] 2-[[2-[[(1S,3R,6R,8S,11R,13S,16R,18R,21R,23S,26R,28S,31R,33R,36R,38S,40R,42R,44R,46R,48R)-20-[[(2S)-3-[[2-[[(19S)-19-ethyl-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-19-yl]oxy]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecahydroxy-5,10,15,25,30-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29-dodecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-35-yl]methylsulfanylmethyl]-4-oxo-6-(3-oxobutoxy)hexanoyl]amino]acetate is sourced from PubChem (CID 58537055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).