[(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-[[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13S,16S,18R,21S,23R,26S,28S,31S,33S,36R,38S,40R,44R,46R,48R)-25-[[(2S)-3-[[2-[[2-[[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-oxoethyl]amino]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,34-tridecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]acetyl]amino]acetyl]amino]acetate

C112H145N11O51S2 — CID 157313949

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-[[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13S,16S,18R,21S,23R,26S,28S,31S,33S,36R,38S,40R,44R,46R,48R)-25-[[(2S)-3-[[2-[[2-[[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-oxoethyl]amino]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,34-tridecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]acetyl]amino]acetyl]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-[[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13S,16S,18R,21S,23R,26S,28S,31S,33S,36R,38S,40R,44R,46R,48R)-25-[[(2S)-3-[[2-[[2-[[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-oxoethyl]amino]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,34-tridecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]acetyl]amino]acetyl]amino]acetate (PubChem CID 157313949) has the molecular formula C112H145N11O51S2 and a molecular weight of 2525.55 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-[[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13S,16S,18R,21S,23R,26S,28S,31S,33S,36R,38S,40R,44R,46R,48R)-25-[[(2S)-3-[[2-[[2-[[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-oxoethyl]amino]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,34-tridecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]acetyl]amino]acetyl]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-[[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13S,16S,18R,21S,23R,26S,28S,31S,33S,36R,38S,40R,44R,46R,48R)-25-[[(2S)-3-[[2-[[2-[[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-oxoethyl]amino]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,34-tridecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]acetyl]amino]acetyl]amino]acetate
• PubChem CID: 157313949
• Molecular Formula: C112H145N11O51S2
• Molecular Weight: 2525.55 g/mol
• Exact Mass: 2523.85
• 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-[[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13S,16S,18R,21S,23R,26S,28S,31S,33S,36R,38S,40R,44R,46R,48R)-25-[[(2S)-3-[[2-[[2-[[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-oxoethyl]amino]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,34-tridecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]acetyl]amino]acetyl]amino]acetate
• SMILES: CC[C@@]1(OC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](CSCC2O[C@@H]3O[C@@H]4C(CO)O[C@@H](C[C@@H]5C(CO)O[C@@H](O[C@@H]6C(CSC[C@@H](NC)C(=O)NCC(=O)NCC(=O)NCC(=O)O[C@]7(CC)C(=O)OCc8c7cc7n(c8=O)Cc8cc9ccccc9nc8-7)O[C@@H](O[C@H]7CC(O)[C@H](OC7CO)O[C@@H]7C(CO)O[C@@H](O[C@@H]8C(CO)O[C@@H](O[C@H]2[C@H](O)C3O)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)CCOCCOCCC(C)=O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
• InChI: InChI=1S/C112H145N11O51S2/c1-5-111(57-25-62-80-50(21-48-11-7-9-13-59(48)120-80)34-122(62)101(152)55(57)41-158-109(111)154)173-78(136)32-116-74(132)28-114-76(134)30-118-99(150)52(23-53(130)16-18-157-20-19-156-17-15-47(3)129)43-175-45-72-97-88(144)93(149)108(167-72)169-94-69(38-126)160-66(83(139)84(94)140)24-54-67(36-124)162-105(89(145)82(54)138)171-98-73(166-104(90(146)87(98)143)161-65-27-64(131)103(163-68(65)37-125)168-95-70(39-127)164-106(91(147)85(95)141)170-96-71(40-128)165-107(172-97)92(148)86(96)142)46-176-44-61(113-4)100(151)119-31-77(135)115-29-75(133)117-33-79(137)174-112(6-2)58-26-63-81-51(22-49-12-8-10-14-60(49)121-81)35-123(63)102(153)56(58)42-159-110(112)155/h7-14,21-22,25-26,52,54,61,64-73,82-98,103-108,113,124-128,131,138-149H,5-6,15-20,23-24,27-46H2,1-4H3,(H,114,134)(H,115,135)(H,116,132)(H,117,133)(H,118,150)(H,119,151)/t52-,54-,61-,64?,65+,66+,67?,68?,69?,70?,71?,72?,73?,82+,83?,84-,85-,86-,87-,88-,89?,90?,91?,92?,93?,94-,95-,96-,97-,98-,103-,104-,105+,106+,107+,108-,111+,112+/m1/s1
• InChIKey: BDJFCDJUPGLUIF-HMBIDWBZSA-N
• XLogP: -11.50
• TPSA: 898.34 Ų
• H-Bond Donors: 25
• H-Bond Acceptors: 58
• Rotatable Bonds: 43
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2525.55
LogP ≤ 5	-11.50
H-Bond Donors ≤ 5	25
H-Bond Acceptors ≤ 10	58

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-[[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13S,16S,18R,21S,23R,26S,28S,31S,33S,36R,38S,40R,44R,46R,48R)-25-[[(2S)-3-[[2-[[2-[[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-oxoethyl]amino]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,34-tridecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]acetyl]amino]acetyl]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-[[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13S,16S,18R,21S,23R,26S,28S,31S,33S,36R,38S,40R,44R,46R,48R)-25-[[(2S)-3-[[2-[[2-[[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-oxoethyl]amino]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,34-tridecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]acetyl]amino]acetyl]amino]acetate (CID 157313949) 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-[[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13S,16S,18R,21S,23R,26S,28S,31S,33S,36R,38S,40R,44R,46R,48R)-25-[[(2S)-3-[[2-[[2-[[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-oxoethyl]amino]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,34-tridecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]acetyl]amino]acetyl]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-[[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13S,16S,18R,21S,23R,26S,28S,31S,33S,36R,38S,40R,44R,46R,48R)-25-[[(2S)-3-[[2-[[2-[[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-oxoethyl]amino]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,34-tridecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]acetyl]amino]acetyl]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-[[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13S,16S,18R,21S,23R,26S,28S,31S,33S,36R,38S,40R,44R,46R,48R)-25-[[(2S)-3-[[2-[[2-[[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-oxoethyl]amino]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,34-tridecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]acetyl]amino]acetyl]amino]acetate is CC[C@@]1(OC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H](CSCC2O[C@@H]3O[C@@H]4C(CO)O[C@@H](C[C@@H]5C(CO)O[C@@H](O[C@@H]6C(CSC[C@@H](NC)C(=O)NCC(=O)NCC(=O)NCC(=O)O[C@]7(CC)C(=O)OCc8c7cc7n(c8=O)Cc8cc9ccccc9nc8-7)O[C@@H](O[C@H]7CC(O)[C@H](OC7CO)O[C@@H]7C(CO)O[C@@H](O[C@@H]8C(CO)O[C@@H](O[C@H]2[C@H](O)C3O)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)CCOCCOCCC(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-[[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13S,16S,18R,21S,23R,26S,28S,31S,33S,36R,38S,40R,44R,46R,48R)-25-[[(2S)-3-[[2-[[2-[[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-oxoethyl]amino]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,34-tridecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]acetyl]amino]acetyl]amino]acetate?

The InChIKey is BDJFCDJUPGLUIF-HMBIDWBZSA-N. The full InChI is InChI=1S/C112H145N11O51S2/c1-5-111(57-25-62-80-50(21-48-11-7-9-13-59(48)120-80)34-122(62)101(152)55(57)41-158-109(111)154)173-78(136)32-116-74(132)28-114-76(134)30-118-99(150)52(23-53(130)16-18-157-20-19-156-17-15-47(3)129)43-175-45-72-97-88(144)93(149)108(167-72)169-94-69(38-126)160-66(83(139)84(94)140)24-54-67(36-124)162-105(89(145)82(54)138)171-98-73(166-104(90(146)87(98)143)161-65-27-64(131)103(163-68(65)37-125)168-95-70(39-127)164-106(91(147)85(95)141)170-96-71(40-128)165-107(172-97)92(148)86(96)142)46-176-44-61(113-4)100(151)119-31-77(135)115-29-75(133)117-33-79(137)174-112(6-2)58-26-63-81-51(22-49-12-8-10-14-60(49)121-81)35-123(63)102(153)56(58)42-159-110(112)155/h7-14,21-22,25-26,52,54,61,64-73,82-98,103-108,113,124-128,131,138-149H,5-6,15-20,23-24,27-46H2,1-4H3,(H,114,134)(H,115,135)(H,116,132)(H,117,133)(H,118,150)(H,119,151)/t52-,54-,61-,64?,65+,66+,67?,68?,69?,70?,71?,72?,73?,82+,83?,84-,85-,86-,87-,88-,89?,90?,91?,92?,93?,94-,95-,96-,97-,98-,103-,104-,105+,106+,107+,108-,111+,112+/m1/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-[[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13S,16S,18R,21S,23R,26S,28S,31S,33S,36R,38S,40R,44R,46R,48R)-25-[[(2S)-3-[[2-[[2-[[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-oxoethyl]amino]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,34-tridecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]acetyl]amino]acetyl]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-[[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13S,16S,18R,21S,23R,26S,28S,31S,33S,36R,38S,40R,44R,46R,48R)-25-[[(2S)-3-[[2-[[2-[[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-oxoethyl]amino]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,34-tridecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]acetyl]amino]acetyl]amino]acetate has a molecular weight of 2525.55 g/mol, XLogP of -11.50, 43 rotatable bonds, 25 hydrogen bond donors, and 58 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-[[2-[[(2S)-2-[[(1S,3S,6S,8S,11S,13S,16S,18R,21S,23R,26S,28S,31S,33S,36R,38S,40R,44R,46R,48R)-25-[[(2S)-3-[[2-[[2-[[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-oxoethyl]amino]-2-oxoethyl]amino]-2-(methylamino)-3-oxopropyl]sulfanylmethyl]-36,37,38,39,40,41,43,44,45,46,47,48,49-tridecahydroxy-10,15,20,30,35-pentakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,34-tridecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontan-5-yl]methylsulfanylmethyl]-4-oxo-6-[2-(3-oxobutoxy)ethoxy]hexanoyl]amino]acetyl]amino]acetyl]amino]acetate is sourced from PubChem (CID 157313949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).