(2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2S)-2-[[(2S)-2-benzyl-3-[2-(diethylamino)ethyl-methylsulfamoyl]propanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]pent-4-ynamide

C183H270N20O26S — CID 158163301

About (2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2S)-2-[[(2S)-2-benzyl-3-[2-(diethylamino)ethyl-methylsulfamoyl]propanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]pent-4-ynamide

(2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2S)-2-[[(2S)-2-benzyl-3-[2-(diethylamino)ethyl-methylsulfamoyl]propanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]pent-4-ynamide (PubChem CID 158163301) has the molecular formula C183H270N20O26S and a molecular weight of 3198.35 g/mol. Its IUPAC name is (2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2S)-2-[[(2S)-2-benzyl-3-[2-(diethylamino)ethyl-methylsulfamoyl]propanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]pent-4-ynamide.

Molecular Properties

• Compound Name: (2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2S)-2-[[(2S)-2-benzyl-3-[2-(diethylamino)ethyl-methylsulfamoyl]propanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]pent-4-ynamide
• PubChem CID: 158163301
• Molecular Formula: C183H270N20O26S
• Molecular Weight: 3198.35 g/mol
• Exact Mass: 3196.01
• IUPAC Name: (2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2S)-2-[[(2S)-2-benzyl-3-[2-(diethylamino)ethyl-methylsulfamoyl]propanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]pent-4-ynamide
• SMILES: C#CCC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC#C)NC(=O)[C@@H](CC(=O)N(C)CCN(C)CC)Cc1ccccc1.C#CCC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC#C)NC(=O)[C@@H](CC(=O)N(C)CCN(C)Cc1ccccc1)Cc1ccccc1.C#CCC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC#C)NC(=O)[C@@H](CC(=O)N(C)CCNC(C)C)Cc1ccccc1.C#CCC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC#C)NC(=O)[C@@H](CC(=O)N(C)CCNC)Cc1ccccc1.C#CCC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC#C)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N(C)CCN(CC)CC
• InChI: InChI=1S/C41H56N4O5.C36H56N4O6S.2C36H54N4O5.C34H50N4O5/c1-5-7-24-37(46)39(48)36(28-32-20-13-9-14-21-32)43-41(50)35(17-6-2)42-40(49)34(27-31-18-11-8-12-19-31)29-38(47)45(4)26-25-44(3)30-33-22-15-10-16-23-33;1-6-10-22-33(41)34(42)32(26-29-20-15-12-16-21-29)38-36(44)31(17-7-2)37-35(43)30(25-28-18-13-11-14-19-28)27-47(45,46)39(5)23-24-40(8-3)9-4;1-6-8-20-32(41)34(43)31(24-28-18-13-10-14-19-28)39-36(45)30(15-7-2)38-35(44)29(23-27-16-11-9-12-17-27)25-33(42)40(5)22-21-37-26(3)4;1-6-9-21-32(41)34(43)31(25-28-19-14-11-15-20-28)38-36(45)30(16-7-2)37-35(44)29(24-27-17-12-10-13-18-27)26-33(42)40(5)23-22-39(4)8-3;1-5-7-19-30(39)32(41)29(23-26-17-12-9-13-18-26)37-34(43)28(14-6-2)36-33(42)27(22-25-15-10-8-11-16-25)24-31(40)38(4)21-20-35-3/h1-2,8,10-12,15-16,18-19,22-23,32,34-37,39,46,48H,7,9,13-14,17,20-21,24-30H2,3-4H3,(H,42,49)(H,43,50);1-2,11,13-14,18-19,29-34,41-42H,8-10,12,15-17,20-27H2,3-5H3,(H,37,43)(H,38,44);1-2,9,11-12,16-17,26,28-32,34,37,41,43H,8,10,13-15,18-25H2,3-5H3,(H,38,44)(H,39,45);1-2,10,12-13,17-18,28-32,34,41,43H,8-9,11,14-16,19-26H2,3-5H3,(H,37,44)(H,38,45);1-2,8,10-11,15-16,26-30,32,35,39,41H,7,9,12-14,17-24H2,3-4H3,(H,36,42)(H,37,43)/t34-,35+,36+,37+,39-;30-,31+,32+,33+,34-;2*29-,30+,31+,32+,34-;27-,28+,29+,30+,32-/m11111/s1
• InChIKey: FWNPXLPFYYRRGD-ZUNYFPRQSA-N
• XLogP: 14.02
• TPSA: 645.70 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 31
• Rotatable Bonds: 97
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3198.35
LogP ≤ 5	14.02
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2S)-2-[[(2S)-2-benzyl-3-[2-(diethylamino)ethyl-methylsulfamoyl]propanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]pent-4-ynamide?

The IUPAC name of (2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2S)-2-[[(2S)-2-benzyl-3-[2-(diethylamino)ethyl-methylsulfamoyl]propanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]pent-4-ynamide (CID 158163301) is (2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2S)-2-[[(2S)-2-benzyl-3-[2-(diethylamino)ethyl-methylsulfamoyl]propanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]pent-4-ynamide.

What is the SMILES notation for (2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2S)-2-[[(2S)-2-benzyl-3-[2-(diethylamino)ethyl-methylsulfamoyl]propanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]pent-4-ynamide?

The canonical SMILES for (2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2S)-2-[[(2S)-2-benzyl-3-[2-(diethylamino)ethyl-methylsulfamoyl]propanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]pent-4-ynamide is C#CCC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC#C)NC(=O)[C@@H](CC(=O)N(C)CCN(C)CC)Cc1ccccc1.C#CCC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC#C)NC(=O)[C@@H](CC(=O)N(C)CCN(C)Cc1ccccc1)Cc1ccccc1.C#CCC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC#C)NC(=O)[C@@H](CC(=O)N(C)CCNC(C)C)Cc1ccccc1.C#CCC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC#C)NC(=O)[C@@H](CC(=O)N(C)CCNC)Cc1ccccc1.C#CCC[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC#C)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)N(C)CCN(CC)CC.

What is the InChIKey of (2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2S)-2-[[(2S)-2-benzyl-3-[2-(diethylamino)ethyl-methylsulfamoyl]propanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]pent-4-ynamide?

The InChIKey is FWNPXLPFYYRRGD-ZUNYFPRQSA-N. The full InChI is InChI=1S/C41H56N4O5.C36H56N4O6S.2C36H54N4O5.C34H50N4O5/c1-5-7-24-37(46)39(48)36(28-32-20-13-9-14-21-32)43-41(50)35(17-6-2)42-40(49)34(27-31-18-11-8-12-19-31)29-38(47)45(4)26-25-44(3)30-33-22-15-10-16-23-33;1-6-10-22-33(41)34(42)32(26-29-20-15-12-16-21-29)38-36(44)31(17-7-2)37-35(43)30(25-28-18-13-11-14-19-28)27-47(45,46)39(5)23-24-40(8-3)9-4;1-6-8-20-32(41)34(43)31(24-28-18-13-10-14-19-28)39-36(45)30(15-7-2)38-35(44)29(23-27-16-11-9-12-17-27)25-33(42)40(5)22-21-37-26(3)4;1-6-9-21-32(41)34(43)31(25-28-19-14-11-15-20-28)38-36(45)30(16-7-2)37-35(44)29(24-27-17-12-10-13-18-27)26-33(42)40(5)23-22-39(4)8-3;1-5-7-19-30(39)32(41)29(23-26-17-12-9-13-18-26)37-34(43)28(14-6-2)36-33(42)27(22-25-15-10-8-11-16-25)24-31(40)38(4)21-20-35-3/h1-2,8,10-12,15-16,18-19,22-23,32,34-37,39,46,48H,7,9,13-14,17,20-21,24-30H2,3-4H3,(H,42,49)(H,43,50);1-2,11,13-14,18-19,29-34,41-42H,8-10,12,15-17,20-27H2,3-5H3,(H,37,43)(H,38,44);1-2,9,11-12,16-17,26,28-32,34,37,41,43H,8,10,13-15,18-25H2,3-5H3,(H,38,44)(H,39,45);1-2,10,12-13,17-18,28-32,34,41,43H,8-9,11,14-16,19-26H2,3-5H3,(H,37,44)(H,38,45);1-2,8,10-11,15-16,26-30,32,35,39,41H,7,9,12-14,17-24H2,3-4H3,(H,36,42)(H,37,43)/t34-,35+,36+,37+,39-;30-,31+,32+,33+,34-;2*29-,30+,31+,32+,34-;27-,28+,29+,30+,32-/m11111/s1.

What are the key properties of (2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2S)-2-[[(2S)-2-benzyl-3-[2-(diethylamino)ethyl-methylsulfamoyl]propanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]pent-4-ynamide?

(2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2S)-2-[[(2S)-2-benzyl-3-[2-(diethylamino)ethyl-methylsulfamoyl]propanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]pent-4-ynamide has a molecular weight of 3198.35 g/mol, XLogP of 14.02, 97 rotatable bonds, 22 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-benzyl-N'-[2-[benzyl(methyl)amino]ethyl]-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-[2-[ethyl(methyl)amino]ethyl]-N'-methylbutanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(methylamino)ethyl]butanediamide;(2R)-2-benzyl-N-[(2S)-1-[[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]amino]-1-oxopent-4-yn-2-yl]-N'-methyl-N'-[2-(propan-2-ylamino)ethyl]butanediamide;(2S)-2-[[(2S)-2-benzyl-3-[2-(diethylamino)ethyl-methylsulfamoyl]propanoyl]amino]-N-[(2S,3R,4S)-1-cyclohexyl-3,4-dihydroxyoct-7-yn-2-yl]pent-4-ynamide is sourced from PubChem (CID 158163301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).