(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]butanediamide

C23H35N5O7S — CID 10673661

IUPAC(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]butanediamide
SMILESCNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)NO)C(C)(C)C
InChIInChI=1S/C23H35N5O7S/c1-12(2)9-15(20(30)26-19(22(32)24-6)23(3,4)5)18(21(31)27-33)28-36(34,35)14-7-8-16-13(10-14)11-17(29)25-16/h7-8,10,12,15,18-19,28,33H,9,11H2,1-6H3,(H,24,32)(H,25,29)(H,26,30)(H,27,31)/t15-,18+,19-/m1/s1
InChIKeyQKZJSMFYXFCVSP-AYOQOUSVSA-N
MW525.63 g/mol
LogP0.27
Rot. Bonds10

About (2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]butanediamide

(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]butanediamide (PubChem CID 10673661) has the molecular formula C23H35N5O7S and a molecular weight of 525.63 g/mol. Its IUPAC name is (2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]butanediamide.

Molecular Properties

Compound Name(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]butanediamide
PubChem CID10673661
Molecular FormulaC23H35N5O7S
Molecular Weight525.63 g/mol
Exact Mass525.23
IUPAC Name(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]butanediamide
SMILESCNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)NO)C(C)(C)C
InChIInChI=1S/C23H35N5O7S/c1-12(2)9-15(20(30)26-19(22(32)24-6)23(3,4)5)18(21(31)27-33)28-36(34,35)14-7-8-16-13(10-14)11-17(29)25-16/h7-8,10,12,15,18-19,28,33H,9,11H2,1-6H3,(H,24,32)(H,25,29)(H,26,30)(H,27,31)/t15-,18+,19-/m1/s1
InChIKeyQKZJSMFYXFCVSP-AYOQOUSVSA-N
XLogP0.27
TPSA182.80 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.63
LogP ≤ 50.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-(thiophen-2-ylsulfonylamino)butanediamide
CID 10648271
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 39419252
(2R,3S)-3-[(2-acetamido-4-methyl-1,3-thiazol-5-yl)sulfonylamino]-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)butanediamide
CID 11071679
2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]-N-propan-2-ylacetamide
CID 112990517
3-methoxy-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanoic acid
CID 81086190
(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-(naphthalen-2-ylmethylamino)butanediamide
CID 11798586
methyl (2R)-3-methyl-2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]butanoate
CID 41012958
5-(1-hydroxy-2-methylpropan-2-yl)sulfonyl-1,3-dihydroindol-2-one
CID 116855261
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 112507154
(2S)-N-hydroxy-3-methyl-2-(6,7,8,9-tetrahydro-5H-fluoren-2-ylsulfonylamino)butanamide
CID 54284298
N-[6-(2-methylpropylamino)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113038545
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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]butanediamide?
The IUPAC name of (2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]butanediamide (CID 10673661) is (2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]butanediamide.
What is the SMILES notation for (2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]butanediamide?
The canonical SMILES for (2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]butanediamide is CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NS(=O)(=O)c1ccc2c(c1)CC(=O)N2)C(=O)NO)C(C)(C)C.
What is the InChIKey of (2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]butanediamide?
The InChIKey is QKZJSMFYXFCVSP-AYOQOUSVSA-N. The full InChI is InChI=1S/C23H35N5O7S/c1-12(2)9-15(20(30)26-19(22(32)24-6)23(3,4)5)18(21(31)27-33)28-36(34,35)14-7-8-16-13(10-14)11-17(29)25-16/h7-8,10,12,15,18-19,28,33H,9,11H2,1-6H3,(H,24,32)(H,25,29)(H,26,30)(H,27,31)/t15-,18+,19-/m1/s1.
What are the key properties of (2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]butanediamide?
(2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]butanediamide has a molecular weight of 525.63 g/mol, XLogP of 0.27, 10 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(2-methylpropyl)-3-[(2-oxo-1,3-dihydroindol-5-yl)sulfonylamino]butanediamide is sourced from PubChem (CID 10673661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).