tert-butyl (4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoate;(4S)-4-(2,5-dioxo-3-propylpyrrolidin-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid;(4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid

C178H199F3N24O45 — CID 161160408

About tert-butyl (4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoate;(4S)-4-(2,5-dioxo-3-propylpyrrolidin-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid;(4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid

tert-butyl (4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoate;(4S)-4-(2,5-dioxo-3-propylpyrrolidin-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid;(4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid (PubChem CID 161160408) has the molecular formula C178H199F3N24O45 and a molecular weight of 3451.67 g/mol. Its IUPAC name is tert-butyl (4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoate;(4S)-4-(2,5-dioxo-3-propylpyrrolidin-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid;(4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: tert-butyl (4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoate;(4S)-4-(2,5-dioxo-3-propylpyrrolidin-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid;(4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid
• PubChem CID: 161160408
• Molecular Formula: C178H199F3N24O45
• Molecular Weight: 3451.67 g/mol
• Exact Mass: 3449.40
• IUPAC Name: tert-butyl (4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoate;(4S)-4-(2,5-dioxo-3-propylpyrrolidin-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid;(4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid
• SMILES: CCCC1CC(=O)N(C(CCC(=O)O)C(=O)NCCC(=O)NCC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCC(=O)NCCCC(=O)N[C@H]2CCc3c(C)c(F)cc4nc5c(c2c34)Cn2c-5cc3c(c2=O)COC(=O)[C@]3(O)CC)C1=O.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CNC(=O)CCNC(=O)C(CCC(=O)O)N1C(=O)C=CC1=O)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CNC(=O)CCNC(=O)C(CCC(=O)OC(C)(C)C)N1C(=O)C=CC1=O)CC3
• InChI: InChI=1S/C61H69FN8O15.C60H69FN8O15.C57H61FN8O15/c1-6-61(83)39-28-45-56-37(31-69(45)58(81)38(39)32-84-59(61)82)55-41(16-15-36-33(2)40(62)29-43(68-56)54(36)55)66-49(75)13-10-25-63-47(73)20-18-46(72)42(27-34-11-8-7-9-12-34)67-50(76)19-14-35(71)30-65-48(74)24-26-64-57(80)44(70-51(77)21-22-52(70)78)17-23-53(79)85-60(3,4)5;1-4-10-34-26-51(76)69(57(34)80)44(17-21-52(77)78)56(79)63-24-22-48(73)64-29-35(70)14-19-50(75)66-42(25-33-11-7-6-8-12-33)46(71)18-20-47(72)62-23-9-13-49(74)65-41-16-15-36-32(3)40(61)28-43-53(36)54(41)37-30-68-45(55(37)67-43)27-39-38(58(68)81)31-84-59(82)60(39,83)5-2;1-3-57(80)36-25-42-53-34(28-65(42)55(78)35(36)29-81-56(57)79)52-38(13-12-33-30(2)37(58)26-40(64-53)51(33)52)62-46(71)10-7-22-59-44(69)17-15-43(68)39(24-31-8-5-4-6-9-31)63-47(72)16-11-32(67)27-61-45(70)21-23-60-54(77)41(14-20-50(75)76)66-48(73)18-19-49(66)74/h7-9,11-12,21-22,28-29,41-42,44,83H,6,10,13-20,23-27,30-32H2,1-5H3,(H,63,73)(H,64,80)(H,65,74)(H,66,75)(H,67,76);6-8,11-12,27-28,34,41-42,44,83H,4-5,9-10,13-26,29-31H2,1-3H3,(H,62,72)(H,63,79)(H,64,73)(H,65,74)(H,66,75)(H,77,78);4-6,8-9,18-19,25-26,38-39,41,80H,3,7,10-17,20-24,27-29H2,1-2H3,(H,59,69)(H,60,77)(H,61,70)(H,62,71)(H,63,72)(H,75,76)/t41-,42-,44?,61-;34?,41-,42-,44?,60-;38-,39-,41?,57-/m000/s1
• InChIKey: UPVQWVIHQGTTQW-OSNBLFIXSA-N
• XLogP: 7.71
• TPSA: 996.22 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 49
• Rotatable Bonds: 80
• Heavy Atoms: 250
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3451.67
LogP ≤ 5	7.71
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	49

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoate;(4S)-4-(2,5-dioxo-3-propylpyrrolidin-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid;(4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid?

The IUPAC name of tert-butyl (4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoate;(4S)-4-(2,5-dioxo-3-propylpyrrolidin-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid;(4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid (CID 161160408) is tert-butyl (4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoate;(4S)-4-(2,5-dioxo-3-propylpyrrolidin-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid;(4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for tert-butyl (4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoate;(4S)-4-(2,5-dioxo-3-propylpyrrolidin-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid;(4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid?

The canonical SMILES for tert-butyl (4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoate;(4S)-4-(2,5-dioxo-3-propylpyrrolidin-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid;(4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid is CCCC1CC(=O)N(C(CCC(=O)O)C(=O)NCCC(=O)NCC(=O)CCC(=O)N[C@@H](Cc2ccccc2)C(=O)CCC(=O)NCCCC(=O)N[C@H]2CCc3c(C)c(F)cc4nc5c(c2c34)Cn2c-5cc3c(c2=O)COC(=O)[C@]3(O)CC)C1=O.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CNC(=O)CCNC(=O)C(CCC(=O)O)N1C(=O)C=CC1=O)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CNC(=O)CCNC(=O)C(CCC(=O)OC(C)(C)C)N1C(=O)C=CC1=O)CC3.

What is the InChIKey of tert-butyl (4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoate;(4S)-4-(2,5-dioxo-3-propylpyrrolidin-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid;(4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid?

The InChIKey is UPVQWVIHQGTTQW-OSNBLFIXSA-N. The full InChI is InChI=1S/C61H69FN8O15.C60H69FN8O15.C57H61FN8O15/c1-6-61(83)39-28-45-56-37(31-69(45)58(81)38(39)32-84-59(61)82)55-41(16-15-36-33(2)40(62)29-43(68-56)54(36)55)66-49(75)13-10-25-63-47(73)20-18-46(72)42(27-34-11-8-7-9-12-34)67-50(76)19-14-35(71)30-65-48(74)24-26-64-57(80)44(70-51(77)21-22-52(70)78)17-23-53(79)85-60(3,4)5;1-4-10-34-26-51(76)69(57(34)80)44(17-21-52(77)78)56(79)63-24-22-48(73)64-29-35(70)14-19-50(75)66-42(25-33-11-7-6-8-12-33)46(71)18-20-47(72)62-23-9-13-49(74)65-41-16-15-36-32(3)40(61)28-43-53(36)54(41)37-30-68-45(55(37)67-43)27-39-38(58(68)81)31-84-59(82)60(39,83)5-2;1-3-57(80)36-25-42-53-34(28-65(42)55(78)35(36)29-81-56(57)79)52-38(13-12-33-30(2)37(58)26-40(64-53)51(33)52)62-46(71)10-7-22-59-44(69)17-15-43(68)39(24-31-8-5-4-6-9-31)63-47(72)16-11-32(67)27-61-45(70)21-23-60-54(77)41(14-20-50(75)76)66-48(73)18-19-49(66)74/h7-9,11-12,21-22,28-29,41-42,44,83H,6,10,13-20,23-27,30-32H2,1-5H3,(H,63,73)(H,64,80)(H,65,74)(H,66,75)(H,67,76);6-8,11-12,27-28,34,41-42,44,83H,4-5,9-10,13-26,29-31H2,1-3H3,(H,62,72)(H,63,79)(H,64,73)(H,65,74)(H,66,75)(H,77,78);4-6,8-9,18-19,25-26,38-39,41,80H,3,7,10-17,20-24,27-29H2,1-2H3,(H,59,69)(H,60,77)(H,61,70)(H,62,71)(H,63,72)(H,75,76)/t41-,42-,44?,61-;34?,41-,42-,44?,60-;38-,39-,41?,57-/m000/s1.

What are the key properties of tert-butyl (4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoate;(4S)-4-(2,5-dioxo-3-propylpyrrolidin-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid;(4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid?

tert-butyl (4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoate;(4S)-4-(2,5-dioxo-3-propylpyrrolidin-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid;(4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid has a molecular weight of 3451.67 g/mol, XLogP of 7.71, 80 rotatable bonds, 20 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoate;(4S)-4-(2,5-dioxo-3-propylpyrrolidin-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid;(4S)-4-(2,5-dioxopyrrol-1-yl)-5-[[3-[[5-[[(2S)-6-[[4-[[(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]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-3-oxopropyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 161160408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).