(4R)-5-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid

C36H56N8O11 — CID 67478146

About (4R)-5-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid

(4R)-5-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid (PubChem CID 67478146) has the molecular formula C36H56N8O11 and a molecular weight of 776.89 g/mol. Its IUPAC name is (4R)-5-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: (4R)-5-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
• PubChem CID: 67478146
• Molecular Formula: C36H56N8O11
• Molecular Weight: 776.89 g/mol
• Exact Mass: 776.41
• IUPAC Name: (4R)-5-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
• SMILES: CC(C)C[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)N1C[C@H](N)CC1=O)[C@@H](C)O)C(C)C)C(=O)N[C@H](C)C(N)=O
• InChI: InChI=1S/C36H56N8O11/c1-17(2)13-25(33(52)39-19(5)31(38)50)41-32(51)24(11-12-28(48)49)40-35(54)29(18(3)4)42-36(55)30(20(6)45)43-34(53)26(44-16-22(37)15-27(44)47)14-21-7-9-23(46)10-8-21/h7-10,17-20,22,24-26,29-30,45-46H,11-16,37H2,1-6H3,(H2,38,50)(H,39,52)(H,40,54)(H,41,51)(H,42,55)(H,43,53)(H,48,49)/t19-,20-,22-,24-,25-,26-,29-,30-/m1/s1
• InChIKey: GEBZKBSMDXEVFK-TUGWROBMSA-N
• XLogP: -2.26
• TPSA: 312.68 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 11
• Rotatable Bonds: 21
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	776.89
LogP ≤ 5	-2.26
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid?

The IUPAC name of (4R)-5-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid (CID 67478146) is (4R)-5-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid.

What is the SMILES notation for (4R)-5-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid?

The canonical SMILES for (4R)-5-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid is CC(C)C[C@@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)N1C[C@H](N)CC1=O)[C@@H](C)O)C(C)C)C(=O)N[C@H](C)C(N)=O.

What is the InChIKey of (4R)-5-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid?

The InChIKey is GEBZKBSMDXEVFK-TUGWROBMSA-N. The full InChI is InChI=1S/C36H56N8O11/c1-17(2)13-25(33(52)39-19(5)31(38)50)41-32(51)24(11-12-28(48)49)40-35(54)29(18(3)4)42-36(55)30(20(6)45)43-34(53)26(44-16-22(37)15-27(44)47)14-21-7-9-23(46)10-8-21/h7-10,17-20,22,24-26,29-30,45-46H,11-16,37H2,1-6H3,(H2,38,50)(H,39,52)(H,40,54)(H,41,51)(H,42,55)(H,43,53)(H,48,49)/t19-,20-,22-,24-,25-,26-,29-,30-/m1/s1.

What are the key properties of (4R)-5-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid?

(4R)-5-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid has a molecular weight of 776.89 g/mol, XLogP of -2.26, 21 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-5-[[(2R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[(4R)-4-amino-2-oxopyrrolidin-1-yl]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 67478146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).