(2S)-4-[(2S)-4-acetyl-2-methylpiperazin-1-yl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-4-[(2R)-2,4-dimethylpiperazin-1-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2S)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2R)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-(2,2,4-trimethylpiperazin-1-yl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]butanamide

C299H494N28O42 — CID 162221466

About (2S)-4-[(2S)-4-acetyl-2-methylpiperazin-1-yl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-4-[(2R)-2,4-dimethylpiperazin-1-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2S)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2R)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-(2,2,4-trimethylpiperazin-1-yl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]butanamide

(2S)-4-[(2S)-4-acetyl-2-methylpiperazin-1-yl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-4-[(2R)-2,4-dimethylpiperazin-1-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2S)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2R)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-(2,2,4-trimethylpiperazin-1-yl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]butanamide (PubChem CID 162221466) has the molecular formula C299H494N28O42 and a molecular weight of 5153.40 g/mol. Its IUPAC name is (2S)-4-[(2S)-4-acetyl-2-methylpiperazin-1-yl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-4-[(2R)-2,4-dimethylpiperazin-1-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2S)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2R)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-(2,2,4-trimethylpiperazin-1-yl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]butanamide.

Molecular Properties

• Compound Name: (2S)-4-[(2S)-4-acetyl-2-methylpiperazin-1-yl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-4-[(2R)-2,4-dimethylpiperazin-1-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2S)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2R)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-(2,2,4-trimethylpiperazin-1-yl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]butanamide
• PubChem CID: 162221466
• Molecular Formula: C299H494N28O42
• Molecular Weight: 5153.40 g/mol
• Exact Mass: 5149.74
• IUPAC Name: (2S)-4-[(2S)-4-acetyl-2-methylpiperazin-1-yl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-4-[(2R)-2,4-dimethylpiperazin-1-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2S)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2R)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-(2,2,4-trimethylpiperazin-1-yl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]butanamide
• SMILES: CCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@H](CC)Cc1ccccc1)OC)N(C)C(=O)[C@@H](Cc1ncccn1)C(C)C.CC[C@@H](CC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](CC(=O)N1CCN(C(C)=O)C[C@@H]1C)C(C)C)Cc1ccccc1.CC[C@@H](CC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](CC(=O)N1CCN(C)CC1(C)C)C(C)C)Cc1ccccc1.CC[C@@H](CC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](CC(=O)N1CCN(C)C[C@H]1C)C(C)C)Cc1ccccc1.CC[C@@H](CC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](CC(=O)N1CCNC[C@@H]1C)C(C)C)Cc1ccccc1.CC[C@@H](CC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](CC(=O)N1CCNC[C@H]1C)C(C)C)Cc1ccccc1.CC[C@@H](CC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](CC(=O)N1[C@H](C)CN(C)C[C@@H]1C)C(C)C)Cc1ccccc1
• InChI: InChI=1S/C44H72N4O7.2C44H74N4O6.C43H72N4O6.2C42H70N4O6.C40H62N4O5/c1-12-30(5)42(45(9)44(53)36(29(3)4)26-40(51)47-23-22-46(33(8)49)28-31(47)6)39(54-10)27-41(52)48-21-17-20-37(48)43(55-11)32(7)38(50)25-34(13-2)24-35-18-15-14-16-19-35;1-13-30(5)42(46(10)44(52)36(29(3)4)25-41(51)48-31(6)27-45(9)28-32(48)7)39(53-11)26-40(50)47-22-18-21-37(47)43(54-12)33(8)38(49)24-34(14-2)23-35-19-16-15-17-20-35;1-13-31(5)41(46(10)43(52)35(30(3)4)27-40(51)48-24-23-45(9)29-44(48,7)8)38(53-11)28-39(50)47-22-18-21-36(47)42(54-12)32(6)37(49)26-33(14-2)25-34-19-16-15-17-20-34;1-12-30(5)41(45(9)43(51)35(29(3)4)26-39(49)46-23-22-44(8)28-31(46)6)38(52-10)27-40(50)47-21-17-20-36(47)42(53-11)32(7)37(48)25-33(13-2)24-34-18-15-14-16-19-34;2*1-11-29(5)40(44(8)42(50)34(28(3)4)25-38(48)45-22-20-43-27-30(45)6)37(51-9)26-39(49)46-21-16-19-35(46)41(52-10)31(7)36(47)24-32(12-2)23-33-17-14-13-15-18-33;1-10-28(5)38(43(7)40(47)32(27(3)4)25-36-41-20-16-21-42-36)35(48-8)26-37(46)44-22-15-19-33(44)39(49-9)29(6)34(45)24-30(11-2)23-31-17-13-12-14-18-31/h14-16,18-19,29-32,34,36-37,39,42-43H,12-13,17,20-28H2,1-11H3;15-17,19-20,29-34,36-37,39,42-43H,13-14,18,21-28H2,1-12H3;15-17,19-20,30-33,35-36,38,41-42H,13-14,18,21-29H2,1-12H3;14-16,18-19,29-33,35-36,38,41-42H,12-13,17,20-28H2,1-11H3;2*13-15,17-18,28-32,34-35,37,40-41,43H,11-12,16,19-27H2,1-10H3;12-14,16-18,20-21,27-30,32-33,35,38-39H,10-11,15,19,22-26H2,1-9H3/t30-,31-,32-,34+,36-,37-,39+,42-,43+;30-,31-,32+,33-,34+,36-,37-,39+,42-,43+;31-,32-,33+,35-,36-,38+,41-,42+;30-,31+,32-,33+,35-,36-,38+,41-,42+;29-,30+,31-,32+,34-,35-,37+,40-,41+;29-,30-,31-,32+,34-,35-,37+,40-,41+;28?,29-,30+,32-,33-,35+,38-,39+/m0000000/s1
• InChIKey: ZUEJOLIPRLTDSZ-SSXQEUIISA-N
• XLogP: 42.21
• TPSA: 734.78 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 49
• Rotatable Bonds: 140
• Heavy Atoms: 369
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5153.40
LogP ≤ 5	42.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	49

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2S)-4-acetyl-2-methylpiperazin-1-yl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-4-[(2R)-2,4-dimethylpiperazin-1-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2S)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2R)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-(2,2,4-trimethylpiperazin-1-yl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]butanamide?

The IUPAC name of (2S)-4-[(2S)-4-acetyl-2-methylpiperazin-1-yl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-4-[(2R)-2,4-dimethylpiperazin-1-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2S)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2R)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-(2,2,4-trimethylpiperazin-1-yl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]butanamide (CID 162221466) is (2S)-4-[(2S)-4-acetyl-2-methylpiperazin-1-yl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-4-[(2R)-2,4-dimethylpiperazin-1-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2S)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2R)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-(2,2,4-trimethylpiperazin-1-yl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]butanamide.

What is the SMILES notation for (2S)-4-[(2S)-4-acetyl-2-methylpiperazin-1-yl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-4-[(2R)-2,4-dimethylpiperazin-1-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2S)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2R)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-(2,2,4-trimethylpiperazin-1-yl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]butanamide?

The canonical SMILES for (2S)-4-[(2S)-4-acetyl-2-methylpiperazin-1-yl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-4-[(2R)-2,4-dimethylpiperazin-1-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2S)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2R)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-(2,2,4-trimethylpiperazin-1-yl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]butanamide is CCC(C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@H](CC)Cc1ccccc1)OC)N(C)C(=O)[C@@H](Cc1ncccn1)C(C)C.CC[C@@H](CC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](CC(=O)N1CCN(C(C)=O)C[C@@H]1C)C(C)C)Cc1ccccc1.CC[C@@H](CC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](CC(=O)N1CCN(C)CC1(C)C)C(C)C)Cc1ccccc1.CC[C@@H](CC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](CC(=O)N1CCN(C)C[C@H]1C)C(C)C)Cc1ccccc1.CC[C@@H](CC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](CC(=O)N1CCNC[C@@H]1C)C(C)C)Cc1ccccc1.CC[C@@H](CC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](CC(=O)N1CCNC[C@H]1C)C(C)C)Cc1ccccc1.CC[C@@H](CC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](CC(=O)N1[C@H](C)CN(C)C[C@@H]1C)C(C)C)Cc1ccccc1.

What is the InChIKey of (2S)-4-[(2S)-4-acetyl-2-methylpiperazin-1-yl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-4-[(2R)-2,4-dimethylpiperazin-1-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2S)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2R)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-(2,2,4-trimethylpiperazin-1-yl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]butanamide?

The InChIKey is ZUEJOLIPRLTDSZ-SSXQEUIISA-N. The full InChI is InChI=1S/C44H72N4O7.2C44H74N4O6.C43H72N4O6.2C42H70N4O6.C40H62N4O5/c1-12-30(5)42(45(9)44(53)36(29(3)4)26-40(51)47-23-22-46(33(8)49)28-31(47)6)39(54-10)27-41(52)48-21-17-20-37(48)43(55-11)32(7)38(50)25-34(13-2)24-35-18-15-14-16-19-35;1-13-30(5)42(46(10)44(52)36(29(3)4)25-41(51)48-31(6)27-45(9)28-32(48)7)39(53-11)26-40(50)47-22-18-21-37(47)43(54-12)33(8)38(49)24-34(14-2)23-35-19-16-15-17-20-35;1-13-31(5)41(46(10)43(52)35(30(3)4)27-40(51)48-24-23-45(9)29-44(48,7)8)38(53-11)28-39(50)47-22-18-21-36(47)42(54-12)32(6)37(49)26-33(14-2)25-34-19-16-15-17-20-34;1-12-30(5)41(45(9)43(51)35(29(3)4)26-39(49)46-23-22-44(8)28-31(46)6)38(52-10)27-40(50)47-21-17-20-36(47)42(53-11)32(7)37(48)25-33(13-2)24-34-18-15-14-16-19-34;2*1-11-29(5)40(44(8)42(50)34(28(3)4)25-38(48)45-22-20-43-27-30(45)6)37(51-9)26-39(49)46-21-16-19-35(46)41(52-10)31(7)36(47)24-32(12-2)23-33-17-14-13-15-18-33;1-10-28(5)38(43(7)40(47)32(27(3)4)25-36-41-20-16-21-42-36)35(48-8)26-37(46)44-22-15-19-33(44)39(49-9)29(6)34(45)24-30(11-2)23-31-17-13-12-14-18-31/h14-16,18-19,29-32,34,36-37,39,42-43H,12-13,17,20-28H2,1-11H3;15-17,19-20,29-34,36-37,39,42-43H,13-14,18,21-28H2,1-12H3;15-17,19-20,30-33,35-36,38,41-42H,13-14,18,21-29H2,1-12H3;14-16,18-19,29-33,35-36,38,41-42H,12-13,17,20-28H2,1-11H3;2*13-15,17-18,28-32,34-35,37,40-41,43H,11-12,16,19-27H2,1-10H3;12-14,16-18,20-21,27-30,32-33,35,38-39H,10-11,15,19,22-26H2,1-9H3/t30-,31-,32-,34+,36-,37-,39+,42-,43+;30-,31-,32+,33-,34+,36-,37-,39+,42-,43+;31-,32-,33+,35-,36-,38+,41-,42+;30-,31+,32-,33+,35-,36-,38+,41-,42+;29-,30+,31-,32+,34-,35-,37+,40-,41+;29-,30-,31-,32+,34-,35-,37+,40-,41+;28?,29-,30+,32-,33-,35+,38-,39+/m0000000/s1.

What are the key properties of (2S)-4-[(2S)-4-acetyl-2-methylpiperazin-1-yl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-4-[(2R)-2,4-dimethylpiperazin-1-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2S)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2R)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-(2,2,4-trimethylpiperazin-1-yl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]butanamide?

(2S)-4-[(2S)-4-acetyl-2-methylpiperazin-1-yl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-4-[(2R)-2,4-dimethylpiperazin-1-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2S)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2R)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-(2,2,4-trimethylpiperazin-1-yl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]butanamide has a molecular weight of 5153.40 g/mol, XLogP of 42.21, 140 rotatable bonds, 2 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-4-[(2S)-4-acetyl-2-methylpiperazin-1-yl]-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-4-[(2R)-2,4-dimethylpiperazin-1-yl]-N-methyl-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N,3-dimethyl-2-(pyrimidin-2-ylmethyl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2S)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-[(2R)-2-methylpiperazin-1-yl]-4-oxo-2-propan-2-ylbutanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-(2,2,4-trimethylpiperazin-1-yl)butanamide;(2S)-N-[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5R)-5-benzyl-1-methoxy-2-methyl-3-oxoheptyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-N-methyl-4-oxo-2-propan-2-yl-4-[(2R,6S)-2,4,6-trimethylpiperazin-1-yl]butanamide is sourced from PubChem (CID 162221466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).