(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[2-[2-[2-[2-[2-[5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]methyl-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-6-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid

C254H373N37O56S3Si6 — CID 159999656

About (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[2-[2-[2-[2-[2-[5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]methyl-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-6-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid

(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[2-[2-[2-[2-[2-[5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]methyl-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-6-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid (PubChem CID 159999656) has the molecular formula C254H373N37O56S3Si6 and a molecular weight of 5105.70 g/mol. Its IUPAC name is (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[2-[2-[2-[2-[2-[5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]methyl-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-6-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid.

Molecular Properties

• Compound Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[2-[2-[2-[2-[2-[5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]methyl-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-6-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid
• PubChem CID: 159999656
• Molecular Formula: C254H373N37O56S3Si6
• Molecular Weight: 5105.70 g/mol
• Exact Mass: 5101.53
• IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[2-[2-[2-[2-[2-[5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]methyl-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-6-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid
• SMILES: CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)NCCC[Si](C)(C)C[Si](C)(C)CSc5ncc(COCCOCCOCCOCCOCCOCCn6cc(COCC(COCc7cn(CCOCCOCCOCCOCCOCCOCc8cnc(SC[Si](C)(C)O[Si](C)(C)CCCNC(=O)[C@@]9(O)[C@H](O)[C@]%10(CC)C=CCN%11CC[C@@]%12(c%13cc([C@@]%14(C(=O)OC)C[C@@H]%15CN(CCc%16c%14[nH]c%14ccccc%16%14)C[C@](O)(CC)C%15)c(OC)cc%13N(C)[C@@H]9%12)[C@@H]%11%10)nc8)nn7)(COCc7cn(CCOCCOCCOCCOCCOCCOCc8cnc(SC[Si](C)(C)O[Si](C)(C)CCCNC(=O)[C@@]9(O)[C@H](O)[C@]%10(CC)C=CCN%11CC[C@@]%12(c%13cc([C@@]%14(C(=O)OC)C[C@@H]%15CN(CCc%16c%14[nH]c%14ccccc%16%14)C[C@](O)(CC)C%15)c(OC)cc%13N(C)[C@@H]9%12)[C@@H]%11%10)nc8)nn7)CC(=O)CCOCCOCCOCCOCCOCCOCCCC(=O)CC[C@H](NC(=O)c7ccc(NCc8cnc9nc(N)[nH]c(=O)c9n8)cc7)C(=O)O)nn6)cn5)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1
• InChI: InChI=1S/C254H373N37O56S3Si6/c1-28-240(307)139-176-142-249(232(304)316-13,213-193(60-76-283(154-176)166-240)190-48-34-37-51-202(190)268-213)199-133-196-206(136-209(199)313-10)280(7)223-246(196)67-79-286-73-41-64-243(31-4,220(246)286)226(298)252(223,310)229(301)256-70-44-130-351(16,17)175-352(18,19)172-348-236-261-146-179(147-262-236)160-340-127-124-337-121-118-334-115-112-331-107-102-326-97-92-321-87-82-289-157-185(274-277-289)163-343-169-239(145-189(293)63-86-320-91-96-325-101-106-330-111-110-329-105-100-324-95-90-319-85-40-47-188(292)58-59-205(219(296)297)271-217(294)182-54-56-183(57-55-182)259-152-184-153-260-216-212(267-184)218(295)273-235(255)272-216,170-344-164-186-158-290(278-275-186)83-88-322-93-98-327-103-108-332-113-116-335-119-122-338-125-128-341-161-180-148-263-237(264-149-180)349-173-355(24,25)346-353(20,21)131-45-71-257-230(302)253(311)224-247(68-80-287-74-42-65-244(32-5,221(247)287)227(253)299)197-134-200(210(314-11)137-207(197)281(224)8)250(233(305)317-14)143-177-140-241(308,29-2)167-284(155-177)77-61-194-191-49-35-38-52-203(191)269-214(194)250)171-345-165-187-159-291(279-276-187)84-89-323-94-99-328-104-109-333-114-117-336-120-123-339-126-129-342-162-181-150-265-238(266-151-181)350-174-356(26,27)347-354(22,23)132-46-72-258-231(303)254(312)225-248(69-81-288-75-43-66-245(33-6,222(248)288)228(254)300)198-135-201(211(315-12)138-208(198)282(225)9)251(234(306)318-15)144-178-141-242(309,30-3)168-285(156-178)78-62-195-192-50-36-39-53-204(192)270-215(195)251/h34-39,41-43,48-57,64-66,133-138,146-151,153,157-159,176-178,205,220-228,259,268-270,298-300,307-312H,28-33,40,44-47,58-63,67-132,139-145,152,154-156,160-175H2,1-27H3,(H,256,301)(H,257,302)(H,258,303)(H,271,294)(H,296,297)(H3,255,260,272,273,295)/t176-,177-,178-,205+,220+,221+,222+,223-,224-,225-,226-,227-,228-,240+,241+,242+,243-,244-,245-,246-,247-,248-,249+,250+,251+,252+,253+,254+/m1/s1
• InChIKey: OHZQWZZNLXYSLS-MPKKRHABSA-N
• XLogP: 20.35
• TPSA: 1099.75 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 87
• Rotatable Bonds: 150
• Heavy Atoms: 356
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5105.70
LogP ≤ 5	20.35
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	87

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[2-[2-[2-[2-[2-[5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]methyl-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-6-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid?

The IUPAC name of (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[2-[2-[2-[2-[2-[5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]methyl-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-6-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid (CID 159999656) is (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[2-[2-[2-[2-[2-[5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]methyl-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-6-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid.

What is the SMILES notation for (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[2-[2-[2-[2-[2-[5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]methyl-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-6-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid?

The canonical SMILES for (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[2-[2-[2-[2-[2-[5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]methyl-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-6-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid is CC[C@]1(O)C[C@H]2CN(CCc3c([nH]c4ccccc34)[C@@](C(=O)OC)(c3cc4c(cc3OC)N(C)[C@H]3[C@@](O)(C(=O)NCCC[Si](C)(C)C[Si](C)(C)CSc5ncc(COCCOCCOCCOCCOCCOCCn6cc(COCC(COCc7cn(CCOCCOCCOCCOCCOCCOCc8cnc(SC[Si](C)(C)O[Si](C)(C)CCCNC(=O)[C@@]9(O)[C@H](O)[C@]%10(CC)C=CCN%11CC[C@@]%12(c%13cc([C@@]%14(C(=O)OC)C[C@@H]%15CN(CCc%16c%14[nH]c%14ccccc%16%14)C[C@](O)(CC)C%15)c(OC)cc%13N(C)[C@@H]9%12)[C@@H]%11%10)nc8)nn7)(COCc7cn(CCOCCOCCOCCOCCOCCOCc8cnc(SC[Si](C)(C)O[Si](C)(C)CCCNC(=O)[C@@]9(O)[C@H](O)[C@]%10(CC)C=CCN%11CC[C@@]%12(c%13cc([C@@]%14(C(=O)OC)C[C@@H]%15CN(CCc%16c%14[nH]c%14ccccc%16%14)C[C@](O)(CC)C%15)c(OC)cc%13N(C)[C@@H]9%12)[C@@H]%11%10)nc8)nn7)CC(=O)CCOCCOCCOCCOCCOCCOCCCC(=O)CC[C@H](NC(=O)c7ccc(NCc8cnc9nc(N)[nH]c(=O)c9n8)cc7)C(=O)O)nn6)cn5)[C@H](O)[C@]5(CC)C=CCN6CC[C@]43[C@@H]65)C2)C1.

What is the InChIKey of (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[2-[2-[2-[2-[2-[5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]methyl-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-6-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid?

The InChIKey is OHZQWZZNLXYSLS-MPKKRHABSA-N. The full InChI is InChI=1S/C254H373N37O56S3Si6/c1-28-240(307)139-176-142-249(232(304)316-13,213-193(60-76-283(154-176)166-240)190-48-34-37-51-202(190)268-213)199-133-196-206(136-209(199)313-10)280(7)223-246(196)67-79-286-73-41-64-243(31-4,220(246)286)226(298)252(223,310)229(301)256-70-44-130-351(16,17)175-352(18,19)172-348-236-261-146-179(147-262-236)160-340-127-124-337-121-118-334-115-112-331-107-102-326-97-92-321-87-82-289-157-185(274-277-289)163-343-169-239(145-189(293)63-86-320-91-96-325-101-106-330-111-110-329-105-100-324-95-90-319-85-40-47-188(292)58-59-205(219(296)297)271-217(294)182-54-56-183(57-55-182)259-152-184-153-260-216-212(267-184)218(295)273-235(255)272-216,170-344-164-186-158-290(278-275-186)83-88-322-93-98-327-103-108-332-113-116-335-119-122-338-125-128-341-161-180-148-263-237(264-149-180)349-173-355(24,25)346-353(20,21)131-45-71-257-230(302)253(311)224-247(68-80-287-74-42-65-244(32-5,221(247)287)227(253)299)197-134-200(210(314-11)137-207(197)281(224)8)250(233(305)317-14)143-177-140-241(308,29-2)167-284(155-177)77-61-194-191-49-35-38-52-203(191)269-214(194)250)171-345-165-187-159-291(279-276-187)84-89-323-94-99-328-104-109-333-114-117-336-120-123-339-126-129-342-162-181-150-265-238(266-151-181)350-174-356(26,27)347-354(22,23)132-46-72-258-231(303)254(312)225-248(69-81-288-75-43-66-245(33-6,222(248)288)228(254)300)198-135-201(211(315-12)138-208(198)282(225)9)251(234(306)318-15)144-178-141-242(309,30-3)168-285(156-178)78-62-195-192-50-36-39-53-204(192)270-215(195)251/h34-39,41-43,48-57,64-66,133-138,146-151,153,157-159,176-178,205,220-228,259,268-270,298-300,307-312H,28-33,40,44-47,58-63,67-132,139-145,152,154-156,160-175H2,1-27H3,(H,256,301)(H,257,302)(H,258,303)(H,271,294)(H,296,297)(H3,255,260,272,273,295)/t176-,177-,178-,205+,220+,221+,222+,223-,224-,225-,226-,227-,228-,240+,241+,242+,243-,244-,245-,246-,247-,248-,249+,250+,251+,252+,253+,254+/m1/s1.

What are the key properties of (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[2-[2-[2-[2-[2-[5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]methyl-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-6-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid?

(2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[2-[2-[2-[2-[2-[5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]methyl-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-6-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid has a molecular weight of 5105.70 g/mol, XLogP of 20.35, 150 rotatable bonds, 20 hydrogen bond donors, and 87 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]benzoyl]amino]-8-[2-[2-[2-[2-[2-[5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]methyl-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-6-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxy]-5-[[1-[2-[2-[2-[2-[2-[2-[[2-[[[3-[[(1R,9R,10S,11R,12R,19R)-12-ethyl-4-[(13S,15S,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carbonyl]amino]propyl-dimethylsilyl]oxy-dimethylsilyl]methylsulfanyl]pyrimidin-5-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methoxymethyl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-5-oxooctanoic acid is sourced from PubChem (CID 159999656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).