(6R)-24-amino-18-[12-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-oxododecyl]-9-fluoro-14,19-dimethyl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;N-[2-[(6R)-24-amino-9-fluoro-14,19-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]ethyl]-3-[2-[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]-N-methylpropanamide;(2R,5R)-2-[1-[2-[2-[2-[2-[6-[(6R)-24-amino-9-fluoro-19-isocyano-14-methyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]-5-(methylamino)-1-[(2R)-2-[4-(4-methylbenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]pyrrolidin-1-yl]hexane-1,4-dione

C197H245Cl4F3N32O19S — CID 167614120

About (6R)-24-amino-18-[12-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-oxododecyl]-9-fluoro-14,19-dimethyl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;N-[2-[(6R)-24-amino-9-fluoro-14,19-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]ethyl]-3-[2-[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]-N-methylpropanamide;(2R,5R)-2-[1-[2-[2-[2-[2-[6-[(6R)-24-amino-9-fluoro-19-isocyano-14-methyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]-5-(methylamino)-1-[(2R)-2-[4-(4-methylbenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]pyrrolidin-1-yl]hexane-1,4-dione

(6R)-24-amino-18-[12-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-oxododecyl]-9-fluoro-14,19-dimethyl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;N-[2-[(6R)-24-amino-9-fluoro-14,19-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]ethyl]-3-[2-[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]-N-methylpropanamide;(2R,5R)-2-[1-[2-[2-[2-[2-[6-[(6R)-24-amino-9-fluoro-19-isocyano-14-methyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]-5-(methylamino)-1-[(2R)-2-[4-(4-methylbenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]pyrrolidin-1-yl]hexane-1,4-dione (PubChem CID 167614120) has the molecular formula C197H245Cl4F3N32O19S and a molecular weight of 3596.20 g/mol. Its IUPAC name is (6R)-24-amino-18-[12-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-oxododecyl]-9-fluoro-14,19-dimethyl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;N-[2-[(6R)-24-amino-9-fluoro-14,19-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]ethyl]-3-[2-[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]-N-methylpropanamide;(2R,5R)-2-[1-[2-[2-[2-[2-[6-[(6R)-24-amino-9-fluoro-19-isocyano-14-methyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]-5-(methylamino)-1-[(2R)-2-[4-(4-methylbenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]pyrrolidin-1-yl]hexane-1,4-dione.

Molecular Properties

• Compound Name: (6R)-24-amino-18-[12-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-oxododecyl]-9-fluoro-14,19-dimethyl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;N-[2-[(6R)-24-amino-9-fluoro-14,19-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]ethyl]-3-[2-[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]-N-methylpropanamide;(2R,5R)-2-[1-[2-[2-[2-[2-[6-[(6R)-24-amino-9-fluoro-19-isocyano-14-methyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]-5-(methylamino)-1-[(2R)-2-[4-(4-methylbenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]pyrrolidin-1-yl]hexane-1,4-dione
• PubChem CID: 167614120
• Molecular Formula: C197H245Cl4F3N32O19S
• Molecular Weight: 3596.20 g/mol
• Exact Mass: 3591.76
• IUPAC Name: (6R)-24-amino-18-[12-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-oxododecyl]-9-fluoro-14,19-dimethyl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;N-[2-[(6R)-24-amino-9-fluoro-14,19-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]ethyl]-3-[2-[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]-N-methylpropanamide;(2R,5R)-2-[1-[2-[2-[2-[2-[6-[(6R)-24-amino-9-fluoro-19-isocyano-14-methyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]-5-(methylamino)-1-[(2R)-2-[4-(4-methylbenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]pyrrolidin-1-yl]hexane-1,4-dione
• SMILES: CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCCCCCCC(=O)CCCn2nc3c(c2C)-c2cnc(N)c(c2)N2CCC[C@@H]2c2cc(F)ccc2C(=O)N(C)C3)CC1.CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCOCCOCCC(=O)N(C)CCn2nc3c(c2C)-c2cnc(N)c(c2)N2CCC[C@@H]2c2cc(F)ccc2C(=O)N(C)C3)CC1.[C-]#[N+]c1c2c(nn1CCCC(=O)CCOCCOCCOCCOCCN1CCC([C@@H](CC(=O)[C@@H](C)NC)C(=O)N3CCC[C@@H]3C3=NC(C(=O)c4ccc(C)cc4)CS3)CC1)CN(C)C(=O)c1ccc(F)cc1[C@H]1CCCN1c1cc-2cnc1N
• InChI: InChI=1S/C68H83Cl2FN10O4.C66H80Cl2FN11O6.C63H82FN11O9S/c1-9-85-60-41-49(66(3,4)5)25-31-55(60)63-74-67(6,47-21-26-50(69)27-22-47)68(7,48-23-28-51(70)29-24-48)81(63)65(84)78-38-36-77(37-39-78)33-15-13-11-10-12-14-18-53(82)19-16-35-80-45(2)61-46-40-59(62(72)73-43-46)79-34-17-20-58(79)56-42-52(71)30-32-54(56)64(83)76(8)44-57(61)75-80;1-10-86-57-39-47(64(3,4)5)17-23-52(57)61-72-65(6,45-13-18-48(67)19-14-45)66(7,46-15-20-49(68)21-16-46)80(61)63(83)77-30-28-76(29-31-77)33-35-85-37-36-84-34-25-58(81)74(8)27-32-79-43(2)59-44-38-56(60(70)71-41-44)78-26-11-12-55(78)53-40-50(69)22-24-51(53)62(82)75(9)42-54(59)73-79;1-41-12-14-44(15-13-41)58(78)52-40-85-61(69-52)54-11-8-22-74(54)63(80)49(37-56(77)42(2)66-3)43-18-24-72(25-19-43)26-28-82-30-32-84-34-33-83-31-29-81-27-20-47(76)9-6-23-75-60(67-4)57-45-35-55(59(65)68-38-45)73-21-7-10-53(73)50-36-46(64)16-17-48(50)62(79)71(5)39-51(57)70-75/h21-32,40-43,58H,9-20,33-39,44H2,1-8H3,(H2,72,73);13-24,38-41,55H,10-12,25-37,42H2,1-9H3,(H2,70,71);12-17,35-36,38,42-43,49,52-54,66H,6-11,18-34,37,39-40H2,1-3,5H3,(H2,65,68)/t58-,67+,68-;55-,65+,66-;42-,49-,52?,53-,54-/m111/s1
• InChIKey: LMHRQVATMHEYEQ-YSSHERPDSA-N
• XLogP: 32.97
• TPSA: 533.87 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 42
• Rotatable Bonds: 63
• Heavy Atoms: 256
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3596.20
LogP ≤ 5	32.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6R)-24-amino-18-[12-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-oxododecyl]-9-fluoro-14,19-dimethyl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;N-[2-[(6R)-24-amino-9-fluoro-14,19-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]ethyl]-3-[2-[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]-N-methylpropanamide;(2R,5R)-2-[1-[2-[2-[2-[2-[6-[(6R)-24-amino-9-fluoro-19-isocyano-14-methyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]-5-(methylamino)-1-[(2R)-2-[4-(4-methylbenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]pyrrolidin-1-yl]hexane-1,4-dione?

The IUPAC name of (6R)-24-amino-18-[12-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-oxododecyl]-9-fluoro-14,19-dimethyl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;N-[2-[(6R)-24-amino-9-fluoro-14,19-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]ethyl]-3-[2-[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]-N-methylpropanamide;(2R,5R)-2-[1-[2-[2-[2-[2-[6-[(6R)-24-amino-9-fluoro-19-isocyano-14-methyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]-5-(methylamino)-1-[(2R)-2-[4-(4-methylbenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]pyrrolidin-1-yl]hexane-1,4-dione (CID 167614120) is (6R)-24-amino-18-[12-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-oxododecyl]-9-fluoro-14,19-dimethyl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;N-[2-[(6R)-24-amino-9-fluoro-14,19-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]ethyl]-3-[2-[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]-N-methylpropanamide;(2R,5R)-2-[1-[2-[2-[2-[2-[6-[(6R)-24-amino-9-fluoro-19-isocyano-14-methyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]-5-(methylamino)-1-[(2R)-2-[4-(4-methylbenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]pyrrolidin-1-yl]hexane-1,4-dione.

What is the SMILES notation for (6R)-24-amino-18-[12-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-oxododecyl]-9-fluoro-14,19-dimethyl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;N-[2-[(6R)-24-amino-9-fluoro-14,19-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]ethyl]-3-[2-[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]-N-methylpropanamide;(2R,5R)-2-[1-[2-[2-[2-[2-[6-[(6R)-24-amino-9-fluoro-19-isocyano-14-methyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]-5-(methylamino)-1-[(2R)-2-[4-(4-methylbenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]pyrrolidin-1-yl]hexane-1,4-dione?

The canonical SMILES for (6R)-24-amino-18-[12-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-oxododecyl]-9-fluoro-14,19-dimethyl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;N-[2-[(6R)-24-amino-9-fluoro-14,19-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]ethyl]-3-[2-[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]-N-methylpropanamide;(2R,5R)-2-[1-[2-[2-[2-[2-[6-[(6R)-24-amino-9-fluoro-19-isocyano-14-methyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]-5-(methylamino)-1-[(2R)-2-[4-(4-methylbenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]pyrrolidin-1-yl]hexane-1,4-dione is CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCCCCCCC(=O)CCCn2nc3c(c2C)-c2cnc(N)c(c2)N2CCC[C@@H]2c2cc(F)ccc2C(=O)N(C)C3)CC1.CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCOCCOCCC(=O)N(C)CCn2nc3c(c2C)-c2cnc(N)c(c2)N2CCC[C@@H]2c2cc(F)ccc2C(=O)N(C)C3)CC1.[C-]#[N+]c1c2c(nn1CCCC(=O)CCOCCOCCOCCOCCN1CCC([C@@H](CC(=O)[C@@H](C)NC)C(=O)N3CCC[C@@H]3C3=NC(C(=O)c4ccc(C)cc4)CS3)CC1)CN(C)C(=O)c1ccc(F)cc1[C@H]1CCCN1c1cc-2cnc1N.

What is the InChIKey of (6R)-24-amino-18-[12-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-oxododecyl]-9-fluoro-14,19-dimethyl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;N-[2-[(6R)-24-amino-9-fluoro-14,19-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]ethyl]-3-[2-[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]-N-methylpropanamide;(2R,5R)-2-[1-[2-[2-[2-[2-[6-[(6R)-24-amino-9-fluoro-19-isocyano-14-methyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]-5-(methylamino)-1-[(2R)-2-[4-(4-methylbenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]pyrrolidin-1-yl]hexane-1,4-dione?

The InChIKey is LMHRQVATMHEYEQ-YSSHERPDSA-N. The full InChI is InChI=1S/C68H83Cl2FN10O4.C66H80Cl2FN11O6.C63H82FN11O9S/c1-9-85-60-41-49(66(3,4)5)25-31-55(60)63-74-67(6,47-21-26-50(69)27-22-47)68(7,48-23-28-51(70)29-24-48)81(63)65(84)78-38-36-77(37-39-78)33-15-13-11-10-12-14-18-53(82)19-16-35-80-45(2)61-46-40-59(62(72)73-43-46)79-34-17-20-58(79)56-42-52(71)30-32-54(56)64(83)76(8)44-57(61)75-80;1-10-86-57-39-47(64(3,4)5)17-23-52(57)61-72-65(6,45-13-18-48(67)19-14-45)66(7,46-15-20-49(68)21-16-46)80(61)63(83)77-30-28-76(29-31-77)33-35-85-37-36-84-34-25-58(81)74(8)27-32-79-43(2)59-44-38-56(60(70)71-41-44)78-26-11-12-55(78)53-40-50(69)22-24-51(53)62(82)75(9)42-54(59)73-79;1-41-12-14-44(15-13-41)58(78)52-40-85-61(69-52)54-11-8-22-74(54)63(80)49(37-56(77)42(2)66-3)43-18-24-72(25-19-43)26-28-82-30-32-84-34-33-83-31-29-81-27-20-47(76)9-6-23-75-60(67-4)57-45-35-55(59(65)68-38-45)73-21-7-10-53(73)50-36-46(64)16-17-48(50)62(79)71(5)39-51(57)70-75/h21-32,40-43,58H,9-20,33-39,44H2,1-8H3,(H2,72,73);13-24,38-41,55H,10-12,25-37,42H2,1-9H3,(H2,70,71);12-17,35-36,38,42-43,49,52-54,66H,6-11,18-34,37,39-40H2,1-3,5H3,(H2,65,68)/t58-,67+,68-;55-,65+,66-;42-,49-,52?,53-,54-/m111/s1.

What are the key properties of (6R)-24-amino-18-[12-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-oxododecyl]-9-fluoro-14,19-dimethyl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;N-[2-[(6R)-24-amino-9-fluoro-14,19-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]ethyl]-3-[2-[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]-N-methylpropanamide;(2R,5R)-2-[1-[2-[2-[2-[2-[6-[(6R)-24-amino-9-fluoro-19-isocyano-14-methyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]-5-(methylamino)-1-[(2R)-2-[4-(4-methylbenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]pyrrolidin-1-yl]hexane-1,4-dione?

(6R)-24-amino-18-[12-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-oxododecyl]-9-fluoro-14,19-dimethyl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;N-[2-[(6R)-24-amino-9-fluoro-14,19-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]ethyl]-3-[2-[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]-N-methylpropanamide;(2R,5R)-2-[1-[2-[2-[2-[2-[6-[(6R)-24-amino-9-fluoro-19-isocyano-14-methyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]-5-(methylamino)-1-[(2R)-2-[4-(4-methylbenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]pyrrolidin-1-yl]hexane-1,4-dione has a molecular weight of 3596.20 g/mol, XLogP of 32.97, 63 rotatable bonds, 4 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-24-amino-18-[12-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]-4-oxododecyl]-9-fluoro-14,19-dimethyl-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-13-one;N-[2-[(6R)-24-amino-9-fluoro-14,19-dimethyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]ethyl]-3-[2-[2-[4-[(4S,5R)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-bis(4-chlorophenyl)-4,5-dimethylimidazole-1-carbonyl]piperazin-1-yl]ethoxy]ethoxy]-N-methylpropanamide;(2R,5R)-2-[1-[2-[2-[2-[2-[6-[(6R)-24-amino-9-fluoro-19-isocyano-14-methyl-13-oxo-2,14,17,18,23-pentazapentacyclo[19.3.1.02,6.07,12.016,20]pentacosa-1(24),7(12),8,10,16,19,21(25),22-octaen-18-yl]-3-oxohexoxy]ethoxy]ethoxy]ethoxy]ethyl]piperidin-4-yl]-5-(methylamino)-1-[(2R)-2-[4-(4-methylbenzoyl)-4,5-dihydro-1,3-thiazol-2-yl]pyrrolidin-1-yl]hexane-1,4-dione is sourced from PubChem (CID 167614120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).