(2R)-N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)nonanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-7-piperidin-1-ylheptanoyl]amino]octanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2S)-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylmethyl]butanoyl]amino]octanamide

C226H327N17O28S — CID 158683212

About (2R)-N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)nonanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-7-piperidin-1-ylheptanoyl]amino]octanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2S)-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylmethyl]butanoyl]amino]octanamide

(2R)-N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)nonanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-7-piperidin-1-ylheptanoyl]amino]octanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2S)-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylmethyl]butanoyl]amino]octanamide (PubChem CID 158683212) has the molecular formula C226H327N17O28S and a molecular weight of 3762.26 g/mol. Its IUPAC name is (2R)-N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)nonanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-7-piperidin-1-ylheptanoyl]amino]octanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2S)-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylmethyl]butanoyl]amino]octanamide.

Molecular Properties

• Compound Name: (2R)-N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)nonanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-7-piperidin-1-ylheptanoyl]amino]octanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2S)-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylmethyl]butanoyl]amino]octanamide
• PubChem CID: 158683212
• Molecular Formula: C226H327N17O28S
• Molecular Weight: 3762.26 g/mol
• Exact Mass: 3759.44
• IUPAC Name: (2R)-N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)nonanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-7-piperidin-1-ylheptanoyl]amino]octanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2S)-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylmethyl]butanoyl]amino]octanamide
• SMILES: CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)CCCCCN1CCN(C)CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)CCCCN1CCOCC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)CCCN1CCCCC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)CN1CCOCC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.Cc1nn(C)c(C)c1S(=O)(=O)C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1
• InChI: InChI=1S/C48H72N4O5.C46H67N3O6.C46H67N3O5.C43H60N4O6S.C43H61N3O6/c1-35(2)30-42(44(54)34-40(32-38-18-12-8-13-19-38)47(57)50-43(31-36(3)4)45(55)48(5)23-24-48)49-46(56)39(22-21-37-16-10-7-11-17-37)33-41(53)20-14-9-15-25-52-28-26-51(6)27-29-52;1-33(2)28-40(42(51)32-38(30-36-16-10-7-11-17-36)45(54)48-41(29-34(3)4)43(52)46(5)21-22-46)47-44(53)37(20-19-35-14-8-6-9-15-35)31-39(50)18-12-13-23-49-24-26-55-27-25-49;1-33(2)28-40(47-44(53)37(22-21-35-16-9-6-10-17-35)31-39(50)20-15-27-49-25-13-8-14-26-49)42(51)32-38(30-36-18-11-7-12-19-36)45(54)48-41(29-34(3)4)43(52)46(5)23-24-46;1-28(2)23-36(44-41(50)34(20-19-32-15-11-9-12-16-32)27-54(52,53)39-30(5)46-47(8)31(39)6)38(48)26-35(25-33-17-13-10-14-18-33)42(51)45-37(24-29(3)4)40(49)43(7)21-22-43;1-30(2)24-37(44-41(50)34(17-16-32-12-8-6-9-13-32)27-36(47)29-46-20-22-52-23-21-46)39(48)28-35(26-33-14-10-7-11-15-33)42(51)45-38(25-31(3)4)40(49)43(5)18-19-43/h7-8,10-13,16-19,35-36,39-40,42-43H,9,14-15,20-34H2,1-6H3,(H,49,56)(H,50,57);6-11,14-17,33-34,37-38,40-41H,12-13,18-32H2,1-5H3,(H,47,53)(H,48,54);6-7,9-12,16-19,33-34,37-38,40-41H,8,13-15,20-32H2,1-5H3,(H,47,53)(H,48,54);9-18,28-29,34-37H,19-27H2,1-8H3,(H,44,50)(H,45,51);6-15,30-31,34-35,37-38H,16-29H2,1-5H3,(H,44,50)(H,45,51)/t39-,40-,42+,43+;2*37-,38-,40+,41+;34-,35-,36+,37+;34-,35-,37+,38+/m11111/s1
• InChIKey: IFKBMDABJSHLMV-PXIKTOSGSA-N
• XLogP: 33.99
• TPSA: 616.60 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 35
• Rotatable Bonds: 118
• Heavy Atoms: 272
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3762.26
LogP ≤ 5	33.99
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)nonanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-7-piperidin-1-ylheptanoyl]amino]octanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2S)-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylmethyl]butanoyl]amino]octanamide?

The IUPAC name of (2R)-N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)nonanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-7-piperidin-1-ylheptanoyl]amino]octanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2S)-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylmethyl]butanoyl]amino]octanamide (CID 158683212) is (2R)-N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)nonanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-7-piperidin-1-ylheptanoyl]amino]octanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2S)-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylmethyl]butanoyl]amino]octanamide.

What is the SMILES notation for (2R)-N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)nonanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-7-piperidin-1-ylheptanoyl]amino]octanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2S)-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylmethyl]butanoyl]amino]octanamide?

The canonical SMILES for (2R)-N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)nonanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-7-piperidin-1-ylheptanoyl]amino]octanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2S)-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylmethyl]butanoyl]amino]octanamide is CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)CCCCCN1CCN(C)CC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)CCCCN1CCOCC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)CCCN1CCCCC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)CN1CCOCC1)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.Cc1nn(C)c(C)c1S(=O)(=O)C[C@@H](CCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)C1(C)CC1.

What is the InChIKey of (2R)-N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)nonanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-7-piperidin-1-ylheptanoyl]amino]octanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2S)-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylmethyl]butanoyl]amino]octanamide?

The InChIKey is IFKBMDABJSHLMV-PXIKTOSGSA-N. The full InChI is InChI=1S/C48H72N4O5.C46H67N3O6.C46H67N3O5.C43H60N4O6S.C43H61N3O6/c1-35(2)30-42(44(54)34-40(32-38-18-12-8-13-19-38)47(57)50-43(31-36(3)4)45(55)48(5)23-24-48)49-46(56)39(22-21-37-16-10-7-11-17-37)33-41(53)20-14-9-15-25-52-28-26-51(6)27-29-52;1-33(2)28-40(42(51)32-38(30-36-16-10-7-11-17-36)45(54)48-41(29-34(3)4)43(52)46(5)21-22-46)47-44(53)37(20-19-35-14-8-6-9-15-35)31-39(50)18-12-13-23-49-24-26-55-27-25-49;1-33(2)28-40(47-44(53)37(22-21-35-16-9-6-10-17-35)31-39(50)20-15-27-49-25-13-8-14-26-49)42(51)32-38(30-36-18-11-7-12-19-36)45(54)48-41(29-34(3)4)43(52)46(5)23-24-46;1-28(2)23-36(44-41(50)34(20-19-32-15-11-9-12-16-32)27-54(52,53)39-30(5)46-47(8)31(39)6)38(48)26-35(25-33-17-13-10-14-18-33)42(51)45-37(24-29(3)4)40(49)43(7)21-22-43;1-30(2)24-37(44-41(50)34(17-16-32-12-8-6-9-13-32)27-36(47)29-46-20-22-52-23-21-46)39(48)28-35(26-33-14-10-7-11-15-33)42(51)45-38(25-31(3)4)40(49)43(5)18-19-43/h7-8,10-13,16-19,35-36,39-40,42-43H,9,14-15,20-34H2,1-6H3,(H,49,56)(H,50,57);6-11,14-17,33-34,37-38,40-41H,12-13,18-32H2,1-5H3,(H,47,53)(H,48,54);6-7,9-12,16-19,33-34,37-38,40-41H,8,13-15,20-32H2,1-5H3,(H,47,53)(H,48,54);9-18,28-29,34-37H,19-27H2,1-8H3,(H,44,50)(H,45,51);6-15,30-31,34-35,37-38H,16-29H2,1-5H3,(H,44,50)(H,45,51)/t39-,40-,42+,43+;2*37-,38-,40+,41+;34-,35-,36+,37+;34-,35-,37+,38+/m11111/s1.

What are the key properties of (2R)-N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)nonanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-7-piperidin-1-ylheptanoyl]amino]octanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2S)-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylmethyl]butanoyl]amino]octanamide?

(2R)-N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)nonanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-7-piperidin-1-ylheptanoyl]amino]octanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2S)-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylmethyl]butanoyl]amino]octanamide has a molecular weight of 3762.26 g/mol, XLogP of 33.99, 118 rotatable bonds, 10 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(4S,7R)-7-benzyl-2-methyl-8-[[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]amino]-5,8-dioxooctan-4-yl]-9-(4-methylpiperazin-1-yl)-4-oxo-2-(2-phenylethyl)nonanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-8-morpholin-4-yl-4-oxo-2-(2-phenylethyl)octanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2R)-4-oxo-2-(2-phenylethyl)-7-piperidin-1-ylheptanoyl]amino]octanamide;(2R,5S)-2-benzyl-7-methyl-N-[(2S)-4-methyl-1-(1-methylcyclopropyl)-1-oxopentan-2-yl]-4-oxo-5-[[(2S)-4-phenyl-2-[(1,3,5-trimethylpyrazol-4-yl)sulfonylmethyl]butanoyl]amino]octanamide is sourced from PubChem (CID 158683212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).