2-[[2-[[2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide

C76H132N20O21 — CID 163036188

About 2-[[2-[[2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide

2-[[2-[[2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide (PubChem CID 163036188) has the molecular formula C76H132N20O21 and a molecular weight of 1662.01 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide.

Molecular Properties

• Compound Name: 2-[[2-[[2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide
• PubChem CID: 163036188
• Molecular Formula: C76H132N20O21
• Molecular Weight: 1662.01 g/mol
• Exact Mass: 1660.99
• IUPAC Name: 2-[[2-[[2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide
• SMILES: CC(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NCC(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(C)C
• InChI: InChI=1S/C76H132N20O21/c1-38(2)33-46(58(107)93-75(22,23)67(116)95-73(18,19)65(114)86-45(29-31-51(78)100)57(106)84-48(37-97)40(5)6)83-60(109)49-27-26-32-96(49)68(117)76(24,25)90-52(101)35-79-54(103)41(7)82-62(111)72(16,17)94-66(115)74(20,21)91-55(104)42(8)81-56(105)44(28-30-50(77)99)85-64(113)71(14,15)92-59(108)47(34-39(3)4)87-63(112)70(12,13)89-53(102)36-80-61(110)69(10,11)88-43(9)98/h38-42,44-49,97H,26-37H2,1-25H3,(H2,77,99)(H2,78,100)(H,79,103)(H,80,110)(H,81,105)(H,82,111)(H,83,109)(H,84,106)(H,85,113)(H,86,114)(H,87,112)(H,88,98)(H,89,102)(H,90,101)(H,91,104)(H,92,108)(H,93,107)(H,94,115)(H,95,116)
• InChIKey: UUKSXPSGHCJMKB-UHFFFAOYSA-N
• XLogP: -4.91
• TPSA: 621.42 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 21
• Rotatable Bonds: 46
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1662.01
LogP ≤ 5	-4.91
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide?

The IUPAC name of 2-[[2-[[2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide (CID 163036188) is 2-[[2-[[2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide.

What is the SMILES notation for 2-[[2-[[2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide?

The canonical SMILES for 2-[[2-[[2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide is CC(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NCC(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)C(C)C.

What is the InChIKey of 2-[[2-[[2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide?

The InChIKey is UUKSXPSGHCJMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H132N20O21/c1-38(2)33-46(58(107)93-75(22,23)67(116)95-73(18,19)65(114)86-45(29-31-51(78)100)57(106)84-48(37-97)40(5)6)83-60(109)49-27-26-32-96(49)68(117)76(24,25)90-52(101)35-79-54(103)41(7)82-62(111)72(16,17)94-66(115)74(20,21)91-55(104)42(8)81-56(105)44(28-30-50(77)99)85-64(113)71(14,15)92-59(108)47(34-39(3)4)87-63(112)70(12,13)89-53(102)36-80-61(110)69(10,11)88-43(9)98/h38-42,44-49,97H,26-37H2,1-25H3,(H2,77,99)(H2,78,100)(H,79,103)(H,80,110)(H,81,105)(H,82,111)(H,83,109)(H,84,106)(H,85,113)(H,86,114)(H,87,112)(H,88,98)(H,89,102)(H,90,101)(H,91,104)(H,92,108)(H,93,107)(H,94,115)(H,95,116).

What are the key properties of 2-[[2-[[2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide?

2-[[2-[[2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide has a molecular weight of 1662.01 g/mol, XLogP of -4.91, 46 rotatable bonds, 20 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[[2-[[2-[[2-[(2-acetamido-2-methylpropanoyl)amino]acetyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-[1-[[1-[[1-[[1-[[2-[[1-[2-[[1-[[1-[[1-[[5-amino-1-[(1-hydroxy-3-methylbutan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide is sourced from PubChem (CID 163036188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).