(2S)-N-[(2S,5R)-5-benzyl-6-[[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]amino]-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]carbamate;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate

C176H206F3N21O39S — CID 167618643

About (2S)-N-[(2S,5R)-5-benzyl-6-[[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]amino]-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]carbamate;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate

(2S)-N-[(2S,5R)-5-benzyl-6-[[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]amino]-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]carbamate;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate (PubChem CID 167618643) has the molecular formula C176H206F3N21O39S and a molecular weight of 3328.75 g/mol. Its IUPAC name is (2S)-N-[(2S,5R)-5-benzyl-6-[[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]amino]-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]carbamate;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate.

Molecular Properties

• Compound Name: (2S)-N-[(2S,5R)-5-benzyl-6-[[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]amino]-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]carbamate;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate
• PubChem CID: 167618643
• Molecular Formula: C176H206F3N21O39S
• Molecular Weight: 3328.75 g/mol
• Exact Mass: 3326.45
• IUPAC Name: (2S)-N-[(2S,5R)-5-benzyl-6-[[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]amino]-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]carbamate;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate
• SMILES: CCC(=O)N[C@H]1CCc2c(C)c(F)cc3nc4c(c1c23)Cn1c-4cc2c(c1=O)COC(=O)[C@@]2(CC)OCN(CCN(C)C)C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1.CCC(=O)N[C@H]1CCc2c(C)c(F)cc3nc4c(c1c23)Cn1c-4cc2c(c1=O)COC(=O)[C@@]2(CC)OCN(CCS(C)(=O)=O)C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)COCCC(=O)CNC(=O)[C@@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)CCCCCN1C(=O)C=CC1=O)C(C)C)Cc1ccccc1)CC3
• InChI: InChI=1S/C59H71FN8O12.C59H67FN6O13.C58H68FN7O14S/c1-9-47(70)62-43-20-19-38-35(6)42(60)28-44-51(38)52(43)39-29-68-45(54(39)63-44)27-41-40(56(68)75)31-78-57(76)59(41,10-2)80-32-66(25-24-65(7)8)58(77)79-30-36-15-17-37(18-16-36)61-55(74)34(5)26-46(69)53(33(3)4)64-48(71)14-12-11-13-23-67-49(72)21-22-50(67)73;1-6-59(77)43-26-47-54-41(29-66(47)57(75)42(43)30-79-58(59)76)53-45(17-16-39-33(4)44(60)27-46(64-54)52(39)53)63-49(70)31-78-22-20-38(68)28-61-55(73)36(23-35-13-9-7-10-14-35)24-48(69)34(5)62-56(74)40(32(2)3)25-37(67)15-11-8-12-21-65-50(71)18-19-51(65)72;1-8-46(68)61-42-19-18-37-34(6)41(59)27-43-50(37)51(42)38-28-66-44(53(38)62-43)26-40-39(55(66)73)30-78-56(74)58(40,9-2)80-31-64(23-24-81(7,76)77)57(75)79-29-35-14-16-36(17-15-35)60-54(72)33(5)25-45(67)52(32(3)4)63-47(69)13-11-10-12-22-65-48(70)20-21-49(65)71/h15-18,21-22,27-28,33-34,43,53H,9-14,19-20,23-26,29-32H2,1-8H3,(H,61,74)(H,62,70)(H,64,71);7,9-10,13-14,18-19,26-27,32,34,36,40,45,77H,6,8,11-12,15-17,20-25,28-31H2,1-5H3,(H,61,73)(H,62,74)(H,63,70);14-17,20-21,26-27,32-33,42,52H,8-13,18-19,22-25,28-31H2,1-7H3,(H,60,72)(H,61,68)(H,63,69)/t34-,43+,53+,59+;34-,36+,40-,45-,59-;33-,42+,52+,58+/m101/s1
• InChIKey: MCTPHZKCDPPYJB-GOIKPTPWSA-N
• XLogP: 17.01
• TPSA: 787.34 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 46
• Rotatable Bonds: 74
• Heavy Atoms: 240
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3328.75
LogP ≤ 5	17.01
H-Bond Donors ≤ 5	10
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S,5R)-5-benzyl-6-[[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]amino]-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]carbamate;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate?

The IUPAC name of (2S)-N-[(2S,5R)-5-benzyl-6-[[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]amino]-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]carbamate;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate (CID 167618643) is (2S)-N-[(2S,5R)-5-benzyl-6-[[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]amino]-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]carbamate;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate.

What is the SMILES notation for (2S)-N-[(2S,5R)-5-benzyl-6-[[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]amino]-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]carbamate;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate?

The canonical SMILES for (2S)-N-[(2S,5R)-5-benzyl-6-[[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]amino]-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]carbamate;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate is CCC(=O)N[C@H]1CCc2c(C)c(F)cc3nc4c(c1c23)Cn1c-4cc2c(c1=O)COC(=O)[C@@]2(CC)OCN(CCN(C)C)C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1.CCC(=O)N[C@H]1CCc2c(C)c(F)cc3nc4c(c1c23)Cn1c-4cc2c(c1=O)COC(=O)[C@@]2(CC)OCN(CCS(C)(=O)=O)C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)COCCC(=O)CNC(=O)[C@@H](CC(=O)[C@H](C)NC(=O)[C@@H](CC(=O)CCCCCN1C(=O)C=CC1=O)C(C)C)Cc1ccccc1)CC3.

What is the InChIKey of (2S)-N-[(2S,5R)-5-benzyl-6-[[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]amino]-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]carbamate;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate?

The InChIKey is MCTPHZKCDPPYJB-GOIKPTPWSA-N. The full InChI is InChI=1S/C59H71FN8O12.C59H67FN6O13.C58H68FN7O14S/c1-9-47(70)62-43-20-19-38-35(6)42(60)28-44-51(38)52(43)39-29-68-45(54(39)63-44)27-41-40(56(68)75)31-78-57(76)59(41,10-2)80-32-66(25-24-65(7)8)58(77)79-30-36-15-17-37(18-16-36)61-55(74)34(5)26-46(69)53(33(3)4)64-48(71)14-12-11-13-23-67-49(72)21-22-50(67)73;1-6-59(77)43-26-47-54-41(29-66(47)57(75)42(43)30-79-58(59)76)53-45(17-16-39-33(4)44(60)27-46(64-54)52(39)53)63-49(70)31-78-22-20-38(68)28-61-55(73)36(23-35-13-9-7-10-14-35)24-48(69)34(5)62-56(74)40(32(2)3)25-37(67)15-11-8-12-21-65-50(71)18-19-51(65)72;1-8-46(68)61-42-19-18-37-34(6)41(59)27-43-50(37)51(42)38-28-66-44(53(38)62-43)26-40-39(55(66)73)30-78-56(74)58(40,9-2)80-31-64(23-24-81(7,76)77)57(75)79-29-35-14-16-36(17-15-35)60-54(72)33(5)25-45(67)52(32(3)4)63-47(69)13-11-10-12-22-65-48(70)20-21-49(65)71/h15-18,21-22,27-28,33-34,43,53H,9-14,19-20,23-26,29-32H2,1-8H3,(H,61,74)(H,62,70)(H,64,71);7,9-10,13-14,18-19,26-27,32,34,36,40,45,77H,6,8,11-12,15-17,20-25,28-31H2,1-5H3,(H,61,73)(H,62,74)(H,63,70);14-17,20-21,26-27,32-33,42,52H,8-13,18-19,22-25,28-31H2,1-7H3,(H,60,72)(H,61,68)(H,63,69)/t34-,43+,53+,59+;34-,36+,40-,45-,59-;33-,42+,52+,58+/m101/s1.

What are the key properties of (2S)-N-[(2S,5R)-5-benzyl-6-[[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]amino]-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]carbamate;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate?

(2S)-N-[(2S,5R)-5-benzyl-6-[[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]amino]-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]carbamate;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate has a molecular weight of 3328.75 g/mol, XLogP of 17.01, 74 rotatable bonds, 10 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[(2S,5R)-5-benzyl-6-[[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]amino]-3,6-dioxohexan-2-yl]-9-(2,5-dioxopyrrol-1-yl)-4-oxo-2-propan-2-ylnonanamide;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[2-(dimethylamino)ethyl]-N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]carbamate;[4-[[(2R,5S)-5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-2,6-dimethyl-4-oxoheptanoyl]amino]phenyl]methyl N-[[(10S,23S)-10-ethyl-18-fluoro-19-methyl-5,9-dioxo-23-(propanoylamino)-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-10-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate is sourced from PubChem (CID 167618643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).