(2R,3S)-3-amino-2-hydroxy-5-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]hexanamide

C22H44N4O4 — CID 90663254

About (2R,3S)-3-amino-2-hydroxy-5-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]hexanamide

(2R,3S)-3-amino-2-hydroxy-5-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]hexanamide (PubChem CID 90663254) has the molecular formula C22H44N4O4 and a molecular weight of 428.62 g/mol. Its IUPAC name is (2R,3S)-3-amino-2-hydroxy-5-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]hexanamide.

Molecular Properties

• Compound Name: (2R,3S)-3-amino-2-hydroxy-5-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]hexanamide
• PubChem CID: 90663254
• Molecular Formula: C22H44N4O4
• Molecular Weight: 428.62 g/mol
• Exact Mass: 428.34
• IUPAC Name: (2R,3S)-3-amino-2-hydroxy-5-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]hexanamide
• SMILES: CC(C)CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](O)[C@@H](N)CC(C)C)C(C)C)C(C)C
• InChI: InChI=1S/C22H44N4O4/c1-12(2)9-10-24-20(28)17(14(5)6)25-21(29)18(15(7)8)26-22(30)19(27)16(23)11-13(3)4/h12-19,27H,9-11,23H2,1-8H3,(H,24,28)(H,25,29)(H,26,30)/t16-,17-,18-,19+/m0/s1
• InChIKey: YSOFSRKCAJLYTE-CADBVGFASA-N
• XLogP: 1.16
• TPSA: 133.55 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.62
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-2-hydroxy-5-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]hexanamide?

The IUPAC name of (2R,3S)-3-amino-2-hydroxy-5-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]hexanamide (CID 90663254) is (2R,3S)-3-amino-2-hydroxy-5-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]hexanamide.

What is the SMILES notation for (2R,3S)-3-amino-2-hydroxy-5-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]hexanamide?

The canonical SMILES for (2R,3S)-3-amino-2-hydroxy-5-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]hexanamide is CC(C)CCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](O)[C@@H](N)CC(C)C)C(C)C)C(C)C.

What is the InChIKey of (2R,3S)-3-amino-2-hydroxy-5-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]hexanamide?

The InChIKey is YSOFSRKCAJLYTE-CADBVGFASA-N. The full InChI is InChI=1S/C22H44N4O4/c1-12(2)9-10-24-20(28)17(14(5)6)25-21(29)18(15(7)8)26-22(30)19(27)16(23)11-13(3)4/h12-19,27H,9-11,23H2,1-8H3,(H,24,28)(H,25,29)(H,26,30)/t16-,17-,18-,19+/m0/s1.

What are the key properties of (2R,3S)-3-amino-2-hydroxy-5-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]hexanamide?

(2R,3S)-3-amino-2-hydroxy-5-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]hexanamide has a molecular weight of 428.62 g/mol, XLogP of 1.16, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-3-amino-2-hydroxy-5-methyl-N-[(2S)-3-methyl-1-[[(2S)-3-methyl-1-(3-methylbutylamino)-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]hexanamide is sourced from PubChem (CID 90663254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).