(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pentanediamide

C23H42N8O10 — CID 167137151

About (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pentanediamide

(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pentanediamide (PubChem CID 167137151) has the molecular formula C23H42N8O10 and a molecular weight of 590.64 g/mol. Its IUPAC name is (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pentanediamide.

Molecular Properties

• Compound Name: (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pentanediamide
• PubChem CID: 167137151
• Molecular Formula: C23H42N8O10
• Molecular Weight: 590.64 g/mol
• Exact Mass: 590.30
• IUPAC Name: (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pentanediamide
• SMILES: CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N)C(C)O)C(=O)N[C@H](C(=O)NCC(=O)NO)C(C)O
• InChI: InChI=1S/C23H42N8O10/c1-9(2)16(22(39)30-17(11(4)32)21(38)26-8-15(35)31-41)28-23(40)18(12(5)33)29-20(37)13(6-7-14(25)34)27-19(36)10(3)24/h9-13,16-18,32-33,41H,6-8,24H2,1-5H3,(H2,25,34)(H,26,38)(H,27,36)(H,28,40)(H,29,37)(H,30,39)(H,31,35)/t10-,11?,12?,13-,16-,17-,18-/m0/s1
• InChIKey: HQHPFMDSWYIYIL-KIVPKJPUSA-N
• XLogP: -5.42
• TPSA: 304.40 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	590.64
LogP ≤ 5	-5.42
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pentanediamide?

The IUPAC name of (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pentanediamide (CID 167137151) is (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pentanediamide.

What is the SMILES notation for (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pentanediamide?

The canonical SMILES for (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pentanediamide is CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N)C(C)O)C(=O)N[C@H](C(=O)NCC(=O)NO)C(C)O.

What is the InChIKey of (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pentanediamide?

The InChIKey is HQHPFMDSWYIYIL-KIVPKJPUSA-N. The full InChI is InChI=1S/C23H42N8O10/c1-9(2)16(22(39)30-17(11(4)32)21(38)26-8-15(35)31-41)28-23(40)18(12(5)33)29-20(37)13(6-7-14(25)34)27-19(36)10(3)24/h9-13,16-18,32-33,41H,6-8,24H2,1-5H3,(H2,25,34)(H,26,38)(H,27,36)(H,28,40)(H,29,37)(H,30,39)(H,31,35)/t10-,11?,12?,13-,16-,17-,18-/m0/s1.

What are the key properties of (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pentanediamide?

(2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pentanediamide has a molecular weight of 590.64 g/mol, XLogP of -5.42, 17 rotatable bonds, 11 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-[[(2S)-2-aminopropanoyl]amino]-N-[(2S)-3-hydroxy-1-[[(2S)-1-[[(2S)-3-hydroxy-1-[[2-(hydroxyamino)-2-oxoethyl]amino]-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]pentanediamide is sourced from PubChem (CID 167137151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).