N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-[[4-[(hydroxyhydrazinylidene)methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

C27H43N7O7 — CID 87854894

About N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-[[4-[(hydroxyhydrazinylidene)methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide

N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-[[4-[(hydroxyhydrazinylidene)methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide (PubChem CID 87854894) has the molecular formula C27H43N7O7 and a molecular weight of 577.68 g/mol. Its IUPAC name is N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-[[4-[(hydroxyhydrazinylidene)methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide.

Molecular Properties

• Compound Name: N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-[[4-[(hydroxyhydrazinylidene)methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
• PubChem CID: 87854894
• Molecular Formula: C27H43N7O7
• Molecular Weight: 577.68 g/mol
• Exact Mass: 577.32
• IUPAC Name: N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-[[4-[(hydroxyhydrazinylidene)methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
• SMILES: CC(C)CC(CC(=O)NO)C(=O)N[C@@H](CCC(=O)NCc1ccc(C=NNO)cc1)C(=O)N[C@@H](CC(C)C)C(N)=O
• InChI: InChI=1S/C27H43N7O7/c1-16(2)11-20(13-24(36)33-40)26(38)31-21(27(39)32-22(25(28)37)12-17(3)4)9-10-23(35)29-14-18-5-7-19(8-6-18)15-30-34-41/h5-8,15-17,20-22,34,40-41H,9-14H2,1-4H3,(H2,28,37)(H,29,35)(H,31,38)(H,32,39)(H,33,36)/t20?,21-,22-/m0/s1
• InChIKey: QOMFWAOVFWOPBQ-QIFDKBNDSA-N
• XLogP: 0.45
• TPSA: 224.34 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 9
• Rotatable Bonds: 18
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	577.68
LogP ≤ 5	0.45
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-[[4-[(hydroxyhydrazinylidene)methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?

The IUPAC name of N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-[[4-[(hydroxyhydrazinylidene)methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide (CID 87854894) is N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-[[4-[(hydroxyhydrazinylidene)methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide.

What is the SMILES notation for N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-[[4-[(hydroxyhydrazinylidene)methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?

The canonical SMILES for N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-[[4-[(hydroxyhydrazinylidene)methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide is CC(C)CC(CC(=O)NO)C(=O)N[C@@H](CCC(=O)NCc1ccc(C=NNO)cc1)C(=O)N[C@@H](CC(C)C)C(N)=O.

What is the InChIKey of N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-[[4-[(hydroxyhydrazinylidene)methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?

The InChIKey is QOMFWAOVFWOPBQ-QIFDKBNDSA-N. The full InChI is InChI=1S/C27H43N7O7/c1-16(2)11-20(13-24(36)33-40)26(38)31-21(27(39)32-22(25(28)37)12-17(3)4)9-10-23(35)29-14-18-5-7-19(8-6-18)15-30-34-41/h5-8,15-17,20-22,34,40-41H,9-14H2,1-4H3,(H2,28,37)(H,29,35)(H,31,38)(H,32,39)(H,33,36)/t20?,21-,22-/m0/s1.

What are the key properties of N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-[[4-[(hydroxyhydrazinylidene)methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide?

N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-[[4-[(hydroxyhydrazinylidene)methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide has a molecular weight of 577.68 g/mol, XLogP of 0.45, 18 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-[[4-[(hydroxyhydrazinylidene)methyl]phenyl]methylamino]-1,5-dioxopentan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide is sourced from PubChem (CID 87854894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).