(4R)-8-[2-[2-[[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5R)-5-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-7-carboxy-3-oxoheptoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-6-oxooctanoic acid

C157H193F2N21O43 — CID 163639796

About (4R)-8-[2-[2-[[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5R)-5-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-7-carboxy-3-oxoheptoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-6-oxooctanoic acid

(4R)-8-[2-[2-[[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5R)-5-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-7-carboxy-3-oxoheptoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-6-oxooctanoic acid (PubChem CID 163639796) has the molecular formula C157H193F2N21O43 and a molecular weight of 3100.37 g/mol. Its IUPAC name is (4R)-8-[2-[2-[[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5R)-5-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-7-carboxy-3-oxoheptoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-6-oxooctanoic acid.

Molecular Properties

• Compound Name: (4R)-8-[2-[2-[[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5R)-5-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-7-carboxy-3-oxoheptoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-6-oxooctanoic acid
• PubChem CID: 163639796
• Molecular Formula: C157H193F2N21O43
• Molecular Weight: 3100.37 g/mol
• Exact Mass: 3098.35
• IUPAC Name: (4R)-8-[2-[2-[[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5R)-5-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-7-carboxy-3-oxoheptoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-6-oxooctanoic acid
• SMILES: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)COCCC(=O)CNC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)CC(=O)CCOCCOCCNC(=O)CN(CCOCCOCCOCCNC(=O)CCC(=O)N2Cc4ccccc4C#Cc4ccccc42)CC(=O)NCCOCCOCCC(=O)C[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(COC(=O)NCC(=O)CCOCC(=O)N[C@H]4CCc5c(C)c(F)cc6nc7c(c4c56)Cn4c-7cc5c(c4=O)COC(=O)[C@]5(O)CC)cc2)C(C)C)C(C)C)cc1)CC3
• InChI: InChI=1S/C157H193F2N21O43/c1-9-156(209)115-73-124-142-111(80-179(124)148(201)113(115)86-220-150(156)203)138-119(37-35-109-92(7)117(158)75-121(173-142)136(109)138)171-131(190)88-218-55-45-107(183)77-167-154(207)222-84-94-23-31-103(32-24-94)169-144(197)98(20-15-47-165-152(160)205)71-126(185)140(90(3)4)175-146(199)100(29-41-134(193)194)69-105(181)43-53-211-61-63-214-58-50-163-129(188)82-177(52-60-216-66-68-217-67-65-213-57-49-162-128(187)39-40-133(192)178-79-102-19-12-11-17-96(102)27-28-97-18-13-14-22-123(97)178)83-130(189)164-51-59-215-64-62-212-54-44-106(182)70-101(30-42-135(195)196)147(200)176-141(91(5)6)127(186)72-99(21-16-48-166-153(161)206)145(198)170-104-33-25-95(26-34-104)85-223-155(208)168-78-108(184)46-56-219-89-132(191)172-120-38-36-110-93(8)118(159)76-122-137(110)139(120)112-81-180-125(143(112)174-122)74-116-114(149(180)202)87-221-151(204)157(116,210)10-2/h11-14,17-19,22-26,31-34,73-76,90-91,98-101,119-120,140-141,209-210H,9-10,15-16,20-21,29-30,35-72,77-89H2,1-8H3,(H,162,187)(H,163,188)(H,164,189)(H,167,207)(H,168,208)(H,169,197)(H,170,198)(H,171,190)(H,172,191)(H,175,199)(H,176,200)(H,193,194)(H,195,196)(H3,160,165,205)(H3,161,166,206)/t98-,99-,100-,101-,119+,120+,140+,141+,156+,157+/m1/s1
• InChIKey: MKDFTTFBVNTSGE-OSTUPFDLSA-N
• XLogP: 8.44
• TPSA: 895.28 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 46
• Rotatable Bonds: 93
• Heavy Atoms: 223
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3100.37
LogP ≤ 5	8.44
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	46

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-8-[2-[2-[[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5R)-5-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-7-carboxy-3-oxoheptoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-6-oxooctanoic acid?

The IUPAC name of (4R)-8-[2-[2-[[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5R)-5-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-7-carboxy-3-oxoheptoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-6-oxooctanoic acid (CID 163639796) is (4R)-8-[2-[2-[[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5R)-5-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-7-carboxy-3-oxoheptoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-6-oxooctanoic acid.

What is the SMILES notation for (4R)-8-[2-[2-[[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5R)-5-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-7-carboxy-3-oxoheptoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-6-oxooctanoic acid?

The canonical SMILES for (4R)-8-[2-[2-[[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5R)-5-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-7-carboxy-3-oxoheptoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-6-oxooctanoic acid is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)COCCC(=O)CNC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)CC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)CC(=O)CCOCCOCCNC(=O)CN(CCOCCOCCOCCNC(=O)CCC(=O)N2Cc4ccccc4C#Cc4ccccc42)CC(=O)NCCOCCOCCC(=O)C[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)C[C@@H](CCCNC(N)=O)C(=O)Nc2ccc(COC(=O)NCC(=O)CCOCC(=O)N[C@H]4CCc5c(C)c(F)cc6nc7c(c4c56)Cn4c-7cc5c(c4=O)COC(=O)[C@]5(O)CC)cc2)C(C)C)C(C)C)cc1)CC3.

What is the InChIKey of (4R)-8-[2-[2-[[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5R)-5-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-7-carboxy-3-oxoheptoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-6-oxooctanoic acid?

The InChIKey is MKDFTTFBVNTSGE-OSTUPFDLSA-N. The full InChI is InChI=1S/C157H193F2N21O43/c1-9-156(209)115-73-124-142-111(80-179(124)148(201)113(115)86-220-150(156)203)138-119(37-35-109-92(7)117(158)75-121(173-142)136(109)138)171-131(190)88-218-55-45-107(183)77-167-154(207)222-84-94-23-31-103(32-24-94)169-144(197)98(20-15-47-165-152(160)205)71-126(185)140(90(3)4)175-146(199)100(29-41-134(193)194)69-105(181)43-53-211-61-63-214-58-50-163-129(188)82-177(52-60-216-66-68-217-67-65-213-57-49-162-128(187)39-40-133(192)178-79-102-19-12-11-17-96(102)27-28-97-18-13-14-22-123(97)178)83-130(189)164-51-59-215-64-62-212-54-44-106(182)70-101(30-42-135(195)196)147(200)176-141(91(5)6)127(186)72-99(21-16-48-166-153(161)206)145(198)170-104-33-25-95(26-34-104)85-223-155(208)168-78-108(184)46-56-219-89-132(191)172-120-38-36-110-93(8)118(159)76-122-137(110)139(120)112-81-180-125(143(112)174-122)74-116-114(149(180)202)87-221-151(204)157(116,210)10-2/h11-14,17-19,22-26,31-34,73-76,90-91,98-101,119-120,140-141,209-210H,9-10,15-16,20-21,29-30,35-72,77-89H2,1-8H3,(H,162,187)(H,163,188)(H,164,189)(H,167,207)(H,168,208)(H,169,197)(H,170,198)(H,171,190)(H,172,191)(H,175,199)(H,176,200)(H,193,194)(H,195,196)(H3,160,165,205)(H3,161,166,206)/t98-,99-,100-,101-,119+,120+,140+,141+,156+,157+/m1/s1.

What are the key properties of (4R)-8-[2-[2-[[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5R)-5-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-7-carboxy-3-oxoheptoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-6-oxooctanoic acid?

(4R)-8-[2-[2-[[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5R)-5-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-7-carboxy-3-oxoheptoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-6-oxooctanoic acid has a molecular weight of 3100.37 g/mol, XLogP of 8.44, 93 rotatable bonds, 19 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-8-[2-[2-[[2-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[(5R)-5-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-7-carboxy-3-oxoheptoxy]ethoxy]ethylamino]-2-oxoethyl]amino]acetyl]amino]ethoxy]ethoxy]-4-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[4-[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]-2-oxobutyl]carbamoyloxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]carbamoyl]-6-oxooctanoic acid is sourced from PubChem (CID 163639796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).